REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ely_1_B DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DCAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.686 174.700 -0.024 0.000 1.109 1 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 1 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 2 P HA 0.107 nan 4.420 nan 0.000 0.237 2 P C -0.007 177.284 177.300 -0.015 0.000 1.178 2 P CA 0.804 63.894 63.100 -0.018 0.000 0.766 2 P CB 0.277 31.970 31.700 -0.013 0.000 0.876 3 E N -0.892 119.305 120.200 -0.005 0.000 2.401 3 E HA 0.282 4.632 4.350 0.001 0.000 0.283 3 E C -1.685 174.940 176.600 0.041 0.000 1.053 3 E CA -0.697 55.715 56.400 0.020 0.000 0.842 3 E CB 0.355 30.079 29.700 0.039 0.000 1.222 3 E HN -0.177 nan 8.360 nan 0.000 0.429 4 M N 2.425 122.075 119.600 0.084 0.000 2.318 4 M HA 0.389 4.869 4.480 0.001 0.000 0.347 4 M C -2.263 174.198 176.300 0.268 0.000 1.175 4 M CA -1.832 53.543 55.300 0.126 0.000 1.075 4 M CB 1.616 34.233 32.600 0.028 0.000 1.614 4 M HN 0.241 nan 8.290 nan 0.000 0.456 5 P HA 0.106 nan 4.420 nan 0.000 0.271 5 P C -0.816 176.535 177.300 0.085 0.000 1.226 5 P CA -0.343 62.823 63.100 0.110 0.000 0.765 5 P CB 0.159 31.896 31.700 0.061 0.000 0.835 6 V N 2.806 122.666 119.914 -0.091 0.000 2.607 6 V HA 0.266 4.386 4.120 0.001 0.000 0.289 6 V C 0.460 176.509 176.094 -0.073 0.000 1.053 6 V CA -0.992 61.136 62.300 -0.286 0.000 0.996 6 V CB 0.430 31.992 31.823 -0.435 0.000 0.995 6 V HN 0.319 nan 8.190 nan 0.000 0.476 7 L N 2.847 124.065 121.223 -0.009 0.000 2.628 7 L HA 0.046 4.386 4.340 0.001 0.000 0.274 7 L C 1.411 178.354 176.870 0.121 0.000 1.209 7 L CA 0.415 55.309 54.840 0.090 0.000 0.930 7 L CB 0.305 42.475 42.059 0.185 0.000 1.183 7 L HN 0.951 nan 8.230 nan 0.000 0.492 8 E N 3.893 124.099 120.200 0.009 0.000 2.013 8 E HA -0.078 4.273 4.350 0.001 0.000 0.196 8 E C 0.314 176.723 176.600 -0.318 0.000 0.964 8 E CA 1.021 57.379 56.400 -0.071 0.000 0.854 8 E CB 0.204 29.854 29.700 -0.083 0.000 0.816 8 E HN 0.581 nan 8.360 nan 0.000 0.489 9 N N 0.102 118.532 118.700 -0.449 0.000 2.623 9 N HA 0.184 4.925 4.740 0.001 0.000 0.256 9 N C -1.063 174.051 175.510 -0.660 0.000 1.045 9 N CA -0.241 52.318 53.050 -0.818 0.000 0.863 9 N CB 0.561 38.772 38.487 -0.461 0.000 1.182 9 N HN 0.012 nan 8.380 nan 0.000 0.523 10 R N 1.343 121.313 120.500 -0.884 0.000 2.480 10 R HA 0.351 4.691 4.340 0.001 0.000 0.277 10 R C -0.102 176.144 176.300 -0.090 0.000 1.008 10 R CA -0.249 55.726 56.100 -0.208 0.000 1.090 10 R CB -0.149 30.248 30.300 0.162 0.000 1.234 10 R HN 0.460 nan 8.270 nan 0.000 0.549 11 A N 0.973 123.649 122.820 -0.240 0.000 2.340 11 A HA 0.596 4.917 4.320 0.001 0.000 0.268 11 A C 0.270 177.819 177.584 -0.058 0.000 1.100 11 A CA -0.344 51.662 52.037 -0.051 0.000 0.803 11 A CB 0.460 19.428 19.000 -0.052 0.000 1.043 11 A HN 0.360 nan 8.150 nan 0.000 0.488 12 A N 1.368 124.176 122.820 -0.021 0.000 2.600 12 A HA 0.063 4.384 4.320 0.001 0.000 0.244 12 A C 1.070 178.630 177.584 -0.040 0.000 1.016 12 A CA 0.392 52.414 52.037 -0.024 0.000 0.778 12 A CB -0.085 18.906 19.000 -0.016 0.000 0.920 12 A HN 0.861 nan 8.150 nan 0.000 0.513 13 Q N 1.412 121.188 119.800 -0.039 0.000 2.234 13 Q HA 0.082 4.422 4.340 0.001 0.000 0.206 13 Q C 1.257 177.236 176.000 -0.036 0.000 0.980 13 Q CA 1.952 57.729 55.803 -0.043 0.000 0.869 13 Q CB -0.158 28.557 28.738 -0.037 0.000 0.912 13 Q HN 1.067 nan 8.270 nan 0.000 0.436 14 G N -1.219 107.564 108.800 -0.029 0.000 2.795 14 G HA2 0.055 4.015 3.960 0.001 0.000 0.127 14 G HA3 0.055 4.015 3.960 0.001 0.000 0.127 14 G C -1.503 173.384 174.900 -0.021 0.000 1.203 14 G CA -0.283 44.801 45.100 -0.025 0.000 1.145 14 G HN 0.070 nan 8.290 nan 0.000 0.580 15 D N 1.749 122.138 120.400 -0.018 0.000 2.348 15 D HA 0.128 4.769 4.640 0.001 0.000 0.259 15 D C 1.981 178.272 176.300 -0.014 0.000 1.296 15 D CA -0.399 53.591 54.000 -0.016 0.000 0.931 15 D CB -0.055 40.737 40.800 -0.015 0.000 1.067 15 D HN 0.517 nan 8.370 nan 0.000 0.503 16 I N 1.365 121.926 120.570 -0.014 0.000 3.102 16 I HA -0.147 4.024 4.170 0.001 0.000 0.278 16 I C 1.209 177.321 176.117 -0.009 0.000 1.316 16 I CA 1.268 62.561 61.300 -0.011 0.000 1.425 16 I CB -0.634 37.359 38.000 -0.011 0.000 1.073 16 I HN 0.322 nan 8.210 nan 0.000 0.503 17 T N -2.027 112.522 114.554 -0.010 0.000 3.022 17 T HA 0.543 4.893 4.350 0.001 0.000 0.250 17 T C 0.810 175.506 174.700 -0.007 0.000 1.060 17 T CA 0.193 62.289 62.100 -0.008 0.000 1.013 17 T CB 0.041 68.904 68.868 -0.008 0.000 0.982 17 T HN 0.405 nan 8.240 nan 0.000 0.508 18 A N 2.064 124.879 122.820 -0.009 0.000 2.269 18 A HA 0.750 5.071 4.320 0.001 0.000 0.319 18 A C -2.690 174.889 177.584 -0.008 0.000 1.110 18 A CA -2.062 49.970 52.037 -0.008 0.000 0.847 18 A CB 0.138 19.132 19.000 -0.010 0.000 1.161 18 A HN 0.238 nan 8.150 nan 0.000 0.497 19 P HA 0.269 nan 4.420 nan 0.000 0.262 19 P C 0.903 178.199 177.300 -0.008 0.000 1.199 19 P CA 1.952 65.048 63.100 -0.006 0.000 0.763 19 P CB 0.538 32.234 31.700 -0.006 0.000 0.790 20 G N 3.293 112.089 108.800 -0.007 0.000 2.189 20 G HA2 -0.303 3.658 3.960 0.001 0.000 0.267 20 G HA3 -0.303 3.658 3.960 0.001 0.000 0.267 20 G C 1.243 176.136 174.900 -0.012 0.000 0.975 20 G CA 0.327 45.421 45.100 -0.009 0.000 0.644 20 G HN 0.718 nan 8.290 nan 0.000 0.537 21 G N -0.146 108.647 108.800 -0.011 0.000 2.534 21 G HA2 0.327 4.288 3.960 0.001 0.000 0.217 21 G HA3 0.327 4.288 3.960 0.001 0.000 0.217 21 G C 1.606 176.498 174.900 -0.014 0.000 1.128 21 G CA 2.059 47.150 45.100 -0.014 0.000 0.784 21 G HN 1.505 nan 8.290 nan 0.000 0.542 22 A N 0.160 122.974 122.820 -0.011 0.000 2.063 22 A HA 0.359 4.679 4.320 0.001 0.000 0.211 22 A C 1.449 179.029 177.584 -0.008 0.000 1.177 22 A CA -0.349 51.683 52.037 -0.008 0.000 0.759 22 A CB 0.043 19.041 19.000 -0.004 0.000 0.857 22 A HN 0.298 nan 8.150 nan 0.000 0.468 23 R N -0.002 120.493 120.500 -0.009 0.000 2.598 23 R HA -0.042 4.298 4.340 0.001 0.000 0.266 23 R C 0.696 176.988 176.300 -0.014 0.000 0.977 23 R CA 0.625 56.720 56.100 -0.009 0.000 1.097 23 R CB 0.257 30.550 30.300 -0.012 0.000 0.911 23 R HN 0.453 nan 8.270 nan 0.000 0.419 24 R N 1.066 121.562 120.500 -0.008 0.000 2.140 24 R HA 0.065 4.406 4.340 0.001 0.000 0.200 24 R C 0.188 176.471 176.300 -0.029 0.000 1.069 24 R CA 0.183 56.275 56.100 -0.013 0.000 1.088 24 R CB -0.090 30.223 30.300 0.022 0.000 1.012 24 R HN 0.367 nan 8.270 nan 0.000 0.500 25 L N 0.169 121.384 121.223 -0.014 0.000 2.292 25 L HA 0.381 4.722 4.340 0.001 0.000 0.284 25 L C 0.939 177.796 176.870 -0.023 0.000 1.065 25 L CA -0.185 54.644 54.840 -0.018 0.000 0.806 25 L CB 1.197 43.255 42.059 -0.002 0.000 1.175 25 L HN 0.031 nan 8.230 nan 0.000 0.431 26 T N -0.381 114.154 114.554 -0.031 0.000 2.978 26 T HA 0.415 4.766 4.350 0.001 0.000 0.262 26 T C 0.856 175.544 174.700 -0.020 0.000 1.063 26 T CA 0.393 62.475 62.100 -0.029 0.000 1.140 26 T CB -0.287 68.558 68.868 -0.039 0.000 0.886 26 T HN 0.851 nan 8.240 nan 0.000 0.470 27 G N 0.180 108.970 108.800 -0.017 0.000 3.222 27 G HA2 0.477 4.437 3.960 0.001 0.000 0.263 27 G HA3 0.477 4.437 3.960 0.001 0.000 0.263 27 G C -1.850 173.046 174.900 -0.006 0.000 1.312 27 G CA -0.610 44.483 45.100 -0.011 0.000 0.934 27 G HN 0.229 nan 8.290 nan 0.000 0.577 28 D N -0.470 119.928 120.400 -0.004 0.000 2.225 28 D HA 0.228 4.868 4.640 0.001 0.000 0.248 28 D C 0.298 176.599 176.300 0.002 0.000 1.096 28 D CA -0.313 53.687 54.000 0.000 0.000 0.863 28 D CB 1.994 42.794 40.800 0.000 0.000 1.156 28 D HN 0.116 nan 8.370 nan 0.000 0.450 29 Q N 1.522 121.325 119.800 0.006 0.000 2.389 29 Q HA -0.002 4.339 4.340 0.001 0.000 0.204 29 Q C 1.813 177.819 176.000 0.009 0.000 0.944 29 Q CA 0.473 56.282 55.803 0.009 0.000 0.908 29 Q CB -0.042 28.705 28.738 0.014 0.000 1.002 29 Q HN 0.586 nan 8.270 nan 0.000 0.493 30 T N 0.649 115.207 114.554 0.008 0.000 2.616 30 T HA -0.375 3.975 4.350 0.001 0.000 0.261 30 T C 1.701 176.404 174.700 0.006 0.000 1.105 30 T CA 2.109 64.213 62.100 0.007 0.000 1.159 30 T CB -0.567 68.304 68.868 0.005 0.000 0.856 30 T HN 0.509 nan 8.240 nan 0.000 0.449 31 A N 1.303 124.125 122.820 0.005 0.000 1.841 31 A HA 0.232 4.552 4.320 0.001 0.000 0.214 31 A C 2.734 180.323 177.584 0.007 0.000 1.195 31 A CA 2.108 54.148 52.037 0.004 0.000 0.611 31 A CB -1.366 17.635 19.000 0.002 0.000 0.835 31 A HN 0.583 nan 8.150 nan 0.000 0.443 32 A N -0.506 122.319 122.820 0.009 0.000 1.927 32 A HA -0.168 4.152 4.320 0.001 0.000 0.220 32 A C 2.155 179.752 177.584 0.022 0.000 1.185 32 A CA 1.806 53.852 52.037 0.016 0.000 0.639 32 A CB -0.633 18.377 19.000 0.016 0.000 0.820 32 A HN 0.470 nan 8.150 nan 0.000 0.451 33 L N -0.787 120.448 121.223 0.019 0.000 2.093 33 L HA -0.110 4.230 4.340 0.001 0.000 0.208 33 L C 2.586 179.463 176.870 0.012 0.000 1.085 33 L CA 1.748 56.601 54.840 0.021 0.000 0.755 33 L CB -0.810 41.260 42.059 0.018 0.000 0.904 33 L HN 0.459 nan 8.230 nan 0.000 0.435 34 R N -0.347 120.157 120.500 0.007 0.000 2.120 34 R HA -0.162 4.178 4.340 0.001 0.000 0.234 34 R C 1.679 177.976 176.300 -0.005 0.000 1.123 34 R CA 1.491 57.590 56.100 -0.001 0.000 0.975 34 R CB -0.033 30.266 30.300 -0.002 0.000 0.866 34 R HN 0.411 nan 8.270 nan 0.000 0.446 35 D N -0.429 119.972 120.400 0.002 0.000 2.183 35 D HA -0.044 4.596 4.640 0.001 0.000 0.203 35 D C 1.748 178.047 176.300 -0.002 0.000 0.969 35 D CA 1.044 55.045 54.000 0.001 0.000 0.842 35 D CB -0.101 40.705 40.800 0.011 0.000 0.957 35 D HN 0.007 nan 8.370 nan 0.000 0.484 36 S N 0.350 116.058 115.700 0.014 0.000 2.419 36 S HA -0.035 4.436 4.470 0.001 0.000 0.233 36 S C 1.099 175.672 174.600 -0.045 0.000 1.016 36 S CA 0.131 58.338 58.200 0.012 0.000 0.974 36 S CB -0.102 63.135 63.200 0.062 0.000 0.786 36 S HN 0.245 nan 8.310 nan 0.000 0.492 37 L N 2.128 123.328 121.223 -0.039 0.000 2.499 37 L HA 0.220 4.561 4.340 0.001 0.000 0.273 37 L C 0.374 177.187 176.870 -0.094 0.000 1.195 37 L CA 0.015 54.818 54.840 -0.061 0.000 0.882 37 L CB 0.446 42.481 42.059 -0.040 0.000 1.133 37 L HN 0.087 nan 8.230 nan 0.000 0.483 38 S N 0.756 116.373 115.700 -0.140 0.000 2.560 38 S HA 0.285 4.756 4.470 0.001 0.000 0.283 38 S C -0.572 173.839 174.600 -0.316 0.000 1.141 38 S CA -0.732 57.356 58.200 -0.186 0.000 0.902 38 S CB 1.347 64.434 63.200 -0.188 0.000 1.104 38 S HN 0.733 nan 8.310 nan 0.000 0.454 39 D N 2.077 122.293 120.400 -0.307 0.000 2.469 39 D HA 0.215 4.855 4.640 0.001 0.000 0.213 39 D C -0.119 175.968 176.300 -0.355 0.000 1.135 39 D CA -0.202 53.511 54.000 -0.478 0.000 0.834 39 D CB -0.028 40.657 40.800 -0.192 0.000 1.009 39 D HN 0.418 nan 8.370 nan 0.000 0.507 40 K N 2.616 122.888 120.400 -0.214 0.000 2.524 40 K HA 0.106 4.426 4.320 0.001 0.000 0.279 40 K C -2.140 174.467 176.600 0.013 0.000 0.993 40 K CA -0.968 55.273 56.287 -0.077 0.000 1.030 40 K CB 0.008 32.463 32.500 -0.074 0.000 0.891 40 K HN 0.175 nan 8.250 nan 0.000 0.488 41 P HA -0.077 nan 4.420 nan 0.000 0.263 41 P C -0.743 176.642 177.300 0.141 0.000 1.195 41 P CA 0.002 63.248 63.100 0.242 0.000 0.762 41 P CB 0.717 32.470 31.700 0.089 0.000 0.799 42 A N 4.333 127.253 122.820 0.168 0.000 2.498 42 A HA 0.045 4.366 4.320 0.001 0.000 0.239 42 A C 1.353 178.929 177.584 -0.014 0.000 1.068 42 A CA 0.022 52.090 52.037 0.051 0.000 0.766 42 A CB -0.036 18.989 19.000 0.042 0.000 1.003 42 A HN 0.605 nan 8.150 nan 0.000 0.497 43 K N 0.744 121.117 120.400 -0.044 0.000 2.348 43 K HA 0.063 4.383 4.320 0.001 0.000 0.194 43 K C -0.361 176.147 176.600 -0.154 0.000 1.052 43 K CA 0.547 56.798 56.287 -0.061 0.000 1.004 43 K CB 0.097 32.578 32.500 -0.033 0.000 0.873 43 K HN 0.857 nan 8.250 nan 0.000 0.523 44 N N -0.045 118.520 118.700 -0.225 0.000 2.396 44 N HA 0.348 5.088 4.740 0.001 0.000 0.275 44 N C -1.196 174.138 175.510 -0.294 0.000 1.218 44 N CA -0.520 52.220 53.050 -0.518 0.000 0.812 44 N CB 2.291 40.211 38.487 -0.946 0.000 1.592 44 N HN -0.111 nan 8.380 nan 0.000 0.480 45 I N 1.860 122.263 120.570 -0.278 0.000 2.512 45 I HA 0.409 4.579 4.170 0.001 0.000 0.287 45 I C -0.868 175.153 176.117 -0.160 0.000 1.069 45 I CA -0.463 60.774 61.300 -0.105 0.000 1.056 45 I CB 1.979 40.009 38.000 0.049 0.000 1.229 45 I HN 0.320 nan 8.210 nan 0.000 0.429 46 I N 6.954 127.459 120.570 -0.107 0.000 2.362 46 I HA 0.353 4.523 4.170 0.001 0.000 0.289 46 I C -0.833 175.212 176.117 -0.120 0.000 0.994 46 I CA -0.757 60.465 61.300 -0.130 0.000 1.158 46 I CB 1.927 39.906 38.000 -0.035 0.000 1.315 46 I HN 0.323 nan 8.210 nan 0.000 0.451 47 L N 8.089 129.205 121.223 -0.178 0.000 2.294 47 L HA 0.468 4.808 4.340 0.001 0.000 0.283 47 L C -1.094 175.686 176.870 -0.150 0.000 1.015 47 L CA -0.227 54.529 54.840 -0.140 0.000 0.831 47 L CB 0.776 42.787 42.059 -0.081 0.000 1.217 47 L HN 0.412 nan 8.230 nan 0.000 0.420 48 L N 6.641 127.773 121.223 -0.152 0.000 2.257 48 L HA 0.423 4.763 4.340 0.001 0.000 0.290 48 L C -0.385 176.372 176.870 -0.188 0.000 1.044 48 L CA -0.306 54.448 54.840 -0.143 0.000 0.810 48 L CB 1.367 43.349 42.059 -0.127 0.000 1.193 48 L HN 0.521 nan 8.230 nan 0.000 0.425 49 I N 2.986 123.454 120.570 -0.170 0.000 2.339 49 I HA 0.290 4.461 4.170 0.001 0.000 0.290 49 I C 0.867 176.899 176.117 -0.142 0.000 0.994 49 I CA -0.307 60.868 61.300 -0.208 0.000 1.191 49 I CB 1.652 39.531 38.000 -0.202 0.000 1.343 49 I HN 0.551 nan 8.210 nan 0.000 0.458 50 G N 5.129 113.829 108.800 -0.167 0.000 2.546 50 G HA2 0.076 4.036 3.960 0.001 0.000 0.320 50 G HA3 0.076 4.036 3.960 0.001 0.000 0.320 50 G C 0.052 174.867 174.900 -0.141 0.000 0.984 50 G CA -0.342 44.670 45.100 -0.147 0.000 1.183 50 G HN 0.573 nan 8.290 nan 0.000 0.443 51 D N 2.363 122.707 120.400 -0.092 0.000 2.455 51 D HA 0.208 4.849 4.640 0.001 0.000 0.265 51 D C 1.543 177.754 176.300 -0.149 0.000 1.284 51 D CA 1.559 55.503 54.000 -0.094 0.000 0.944 51 D CB 0.202 41.017 40.800 0.025 0.000 1.121 51 D HN 0.792 nan 8.370 nan 0.000 0.525 52 G N 4.213 112.753 108.800 -0.433 0.000 2.176 52 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 52 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 52 G C 0.611 175.448 174.900 -0.105 0.000 1.024 52 G CA 0.358 45.246 45.100 -0.353 0.000 0.755 52 G HN 0.581 nan 8.290 nan 0.000 0.507 53 M N 1.831 121.342 119.600 -0.148 0.000 3.512 53 M HA 0.460 4.940 4.480 0.001 0.000 0.231 53 M C 1.121 177.384 176.300 -0.062 0.000 1.345 53 M CA 0.332 55.575 55.300 -0.094 0.000 1.504 53 M CB -0.660 31.863 32.600 -0.128 0.000 1.074 53 M HN 0.282 nan 8.290 nan 0.000 0.615 54 G N 1.214 110.007 108.800 -0.012 0.000 2.570 54 G HA2 0.019 3.979 3.960 0.001 0.000 0.276 54 G HA3 0.019 3.979 3.960 0.001 0.000 0.276 54 G C -0.019 174.894 174.900 0.022 0.000 1.346 54 G CA -0.281 44.834 45.100 0.025 0.000 1.034 54 G HN 0.646 nan 8.290 nan 0.000 0.512 55 D N -1.099 119.326 120.400 0.042 0.000 2.178 55 D HA -0.087 4.554 4.640 0.001 0.000 0.201 55 D C 2.516 178.839 176.300 0.039 0.000 0.980 55 D CA 1.510 55.533 54.000 0.039 0.000 0.842 55 D CB 0.118 40.947 40.800 0.048 0.000 0.948 55 D HN 0.229 nan 8.370 nan 0.000 0.472 56 S N -0.465 115.258 115.700 0.039 0.000 2.383 56 S HA -0.138 4.333 4.470 0.001 0.000 0.227 56 S C 1.674 176.289 174.600 0.025 0.000 1.026 56 S CA 0.896 59.114 58.200 0.029 0.000 0.981 56 S CB -0.018 63.196 63.200 0.022 0.000 0.818 56 S HN 0.073 nan 8.310 nan 0.000 0.472 57 E N 1.430 121.643 120.200 0.021 0.000 2.051 57 E HA -0.027 4.323 4.350 0.001 0.000 0.192 57 E C 1.903 178.519 176.600 0.027 0.000 0.991 57 E CA 1.180 57.585 56.400 0.009 0.000 0.799 57 E CB -0.375 29.316 29.700 -0.014 0.000 0.748 57 E HN 0.547 nan 8.360 nan 0.000 0.449 58 I N 0.605 121.191 120.570 0.025 0.000 2.127 58 I HA -0.333 3.837 4.170 0.001 0.000 0.241 58 I C 2.134 178.352 176.117 0.168 0.000 1.075 58 I CA 1.589 62.931 61.300 0.071 0.000 1.334 58 I CB -0.656 37.367 38.000 0.038 0.000 1.040 58 I HN 0.137 nan 8.210 nan 0.000 0.405 59 T N 0.874 115.492 114.554 0.106 0.000 2.652 59 T HA -0.211 4.139 4.350 0.001 0.000 0.267 59 T C 2.082 176.844 174.700 0.103 0.000 1.039 59 T CA 1.629 63.785 62.100 0.094 0.000 1.153 59 T CB -0.460 68.443 68.868 0.058 0.000 0.863 59 T HN 0.503 nan 8.240 nan 0.000 0.428 60 A N 1.429 124.302 122.820 0.089 0.000 1.908 60 A HA 0.085 4.405 4.320 0.001 0.000 0.218 60 A C 2.626 180.305 177.584 0.158 0.000 1.181 60 A CA 2.005 54.099 52.037 0.095 0.000 0.627 60 A CB -1.095 17.936 19.000 0.051 0.000 0.818 60 A HN 0.534 nan 8.150 nan 0.000 0.445 61 A N -0.717 122.213 122.820 0.184 0.000 1.929 61 A HA -0.084 4.237 4.320 0.001 0.000 0.216 61 A C 2.247 180.044 177.584 0.354 0.000 1.176 61 A CA 1.507 53.708 52.037 0.273 0.000 0.628 61 A CB -0.445 18.691 19.000 0.227 0.000 0.816 61 A HN 0.549 nan 8.150 nan 0.000 0.444 62 R N -0.206 120.449 120.500 0.259 0.000 2.066 62 R HA -0.148 4.192 4.340 0.001 0.000 0.232 62 R C 1.835 178.080 176.300 -0.092 0.000 1.131 62 R CA 1.598 57.560 56.100 -0.230 0.000 0.955 62 R CB -0.352 29.789 30.300 -0.265 0.000 0.851 62 R HN 0.478 nan 8.270 nan 0.000 0.432 63 N N 0.103 118.819 118.700 0.028 0.000 2.060 63 N HA -0.249 4.491 4.740 0.001 0.000 0.195 63 N C 1.549 177.096 175.510 0.062 0.000 1.028 63 N CA 1.559 54.632 53.050 0.039 0.000 0.861 63 N CB -0.586 37.946 38.487 0.074 0.000 1.029 63 N HN 0.322 nan 8.380 nan 0.000 0.428 64 Y N 0.768 121.103 120.300 0.059 0.000 2.163 64 Y HA -0.054 4.497 4.550 0.001 0.000 0.288 64 Y C 2.219 178.190 175.900 0.119 0.000 1.136 64 Y CA 1.918 60.083 58.100 0.109 0.000 1.147 64 Y CB -0.288 38.284 38.460 0.187 0.000 0.987 64 Y HN 0.086 nan 8.280 nan 0.000 0.509 65 A N -0.830 122.077 122.820 0.146 0.000 1.956 65 A HA 0.071 4.391 4.320 0.001 0.000 0.212 65 A C 1.753 179.307 177.584 -0.049 0.000 1.188 65 A CA 1.118 53.217 52.037 0.103 0.000 0.675 65 A CB -0.080 19.127 19.000 0.344 0.000 0.845 65 A HN 0.400 nan 8.150 nan 0.000 0.455 66 E N -0.779 119.336 120.200 -0.141 0.000 2.473 66 E HA 0.327 4.677 4.350 0.001 0.000 0.204 66 E C 0.832 177.355 176.600 -0.128 0.000 0.994 66 E CA 0.671 56.968 56.400 -0.172 0.000 0.945 66 E CB 0.324 29.825 29.700 -0.332 0.000 0.990 66 E HN 0.707 nan 8.360 nan 0.000 0.493 67 G N 1.003 109.735 108.800 -0.113 0.000 2.712 67 G HA2 -0.158 3.802 3.960 0.001 0.000 0.686 67 G HA3 -0.158 3.802 3.960 0.001 0.000 0.686 67 G C 0.860 175.722 174.900 -0.064 0.000 1.321 67 G CA -0.067 44.986 45.100 -0.078 0.000 0.813 67 G HN 0.222 nan 8.290 nan 0.000 0.599 68 A N 0.158 122.957 122.820 -0.035 0.000 1.917 68 A HA 0.208 4.529 4.320 0.001 0.000 0.219 68 A C 2.661 180.233 177.584 -0.020 0.000 1.182 68 A CA 2.721 54.746 52.037 -0.020 0.000 0.633 68 A CB -0.644 18.351 19.000 -0.007 0.000 0.819 68 A HN 2.431 nan 8.150 nan 0.000 0.448 69 G N -0.951 107.835 108.800 -0.023 0.000 3.233 69 G HA2 0.415 4.376 3.960 0.001 0.000 0.227 69 G HA3 0.415 4.376 3.960 0.001 0.000 0.227 69 G C 0.706 175.600 174.900 -0.010 0.000 1.175 69 G CA 0.586 45.678 45.100 -0.013 0.000 0.781 69 G HN 0.739 nan 8.290 nan 0.000 0.542 70 G N -0.344 108.436 108.800 -0.034 0.000 2.553 70 G HA2 0.475 4.435 3.960 0.001 0.000 0.278 70 G HA3 0.475 4.435 3.960 0.001 0.000 0.278 70 G C -1.014 173.911 174.900 0.042 0.000 1.349 70 G CA -0.670 44.408 45.100 -0.035 0.000 1.037 70 G HN 0.408 nan 8.290 nan 0.000 0.508 71 F N -1.395 118.443 119.950 -0.187 0.000 2.622 71 F HA 0.544 5.072 4.527 0.001 0.000 0.318 71 F C -1.864 173.859 175.800 -0.127 0.000 1.135 71 F CA -1.573 56.354 58.000 -0.122 0.000 1.015 71 F CB 1.171 40.141 39.000 -0.050 0.000 1.275 71 F HN 0.286 nan 8.300 nan 0.000 0.457 72 F N 6.416 126.032 119.950 -0.557 0.000 2.444 72 F HA 0.371 4.898 4.527 0.001 0.000 0.360 72 F C 1.465 176.794 175.800 -0.785 0.000 1.106 72 F CA -0.144 57.579 58.000 -0.462 0.000 1.170 72 F CB 1.270 40.078 39.000 -0.321 0.000 1.113 72 F HN 0.591 nan 8.300 nan 0.000 0.521 73 K N 2.113 122.436 120.400 -0.129 0.000 2.152 73 K HA -0.139 4.182 4.320 0.001 0.000 0.206 73 K C 1.954 178.516 176.600 -0.064 0.000 1.048 73 K CA 1.362 57.651 56.287 0.004 0.000 0.933 73 K CB -0.081 32.507 32.500 0.146 0.000 0.721 73 K HN 0.887 nan 8.250 nan 0.000 0.447 74 G N 0.674 109.427 108.800 -0.078 0.000 2.599 74 G HA2 -0.047 3.914 3.960 0.001 0.000 0.210 74 G HA3 -0.047 3.914 3.960 0.001 0.000 0.210 74 G C 1.457 176.262 174.900 -0.159 0.000 1.177 74 G CA -0.162 44.877 45.100 -0.101 0.000 0.835 74 G HN 0.035 nan 8.290 nan 0.000 0.575 75 I N 1.315 121.760 120.570 -0.209 0.000 2.226 75 I HA -0.105 4.065 4.170 0.001 0.000 0.245 75 I C 1.838 177.848 176.117 -0.177 0.000 1.100 75 I CA 1.206 62.365 61.300 -0.236 0.000 1.374 75 I CB -0.066 37.680 38.000 -0.424 0.000 1.057 75 I HN 0.062 nan 8.210 nan 0.000 0.413 76 D N 0.954 121.215 120.400 -0.231 0.000 2.305 76 D HA 0.058 4.699 4.640 0.001 0.000 0.206 76 D C 1.801 177.984 176.300 -0.195 0.000 0.974 76 D CA 0.624 54.471 54.000 -0.255 0.000 0.871 76 D CB 0.120 40.661 40.800 -0.431 0.000 0.947 76 D HN 0.227 nan 8.370 nan 0.000 0.516 77 A N 0.484 123.160 122.820 -0.241 0.000 2.223 77 A HA 0.106 4.426 4.320 0.001 0.000 0.222 77 A C 0.356 177.928 177.584 -0.020 0.000 1.317 77 A CA 0.114 52.161 52.037 0.017 0.000 0.985 77 A CB -0.774 18.269 19.000 0.072 0.000 0.858 77 A HN 0.068 nan 8.150 nan 0.000 0.496 78 L N 0.671 121.881 121.223 -0.022 0.000 2.280 78 L HA 0.335 4.675 4.340 0.001 0.000 0.287 78 L C -1.086 175.811 176.870 0.044 0.000 1.023 78 L CA -1.522 53.316 54.840 -0.003 0.000 0.819 78 L CB 1.781 43.838 42.059 -0.005 0.000 1.212 78 L HN 0.078 nan 8.230 nan 0.000 0.420 79 P HA -0.138 nan 4.420 nan 0.000 0.218 79 P C 0.134 177.476 177.300 0.071 0.000 1.149 79 P CA 1.142 64.295 63.100 0.088 0.000 0.817 79 P CB 0.475 32.250 31.700 0.125 0.000 0.785 80 L N 0.696 121.961 121.223 0.070 0.000 2.287 80 L HA 0.358 4.699 4.340 0.001 0.000 0.287 80 L C 0.435 177.315 176.870 0.016 0.000 1.022 80 L CA -0.483 54.381 54.840 0.039 0.000 0.814 80 L CB 1.611 43.690 42.059 0.033 0.000 1.217 80 L HN -0.045 nan 8.230 nan 0.000 0.420 81 T N -0.311 114.251 114.554 0.013 0.000 2.907 81 T HA 0.930 5.281 4.350 0.001 0.000 0.292 81 T C -0.128 174.573 174.700 0.001 0.000 1.043 81 T CA -0.734 61.366 62.100 -0.001 0.000 1.003 81 T CB 2.596 71.469 68.868 0.009 0.000 1.084 81 T HN 0.729 nan 8.240 nan 0.000 0.483 82 G N 0.287 109.082 108.800 -0.010 0.000 2.548 82 G HA2 0.568 4.529 3.960 0.001 0.000 0.301 82 G HA3 0.568 4.529 3.960 0.001 0.000 0.301 82 G C -2.244 172.670 174.900 0.024 0.000 1.349 82 G CA -0.937 44.170 45.100 0.012 0.000 0.792 82 G HN 0.719 nan 8.290 nan 0.000 0.481 83 Q N -0.659 119.186 119.800 0.075 0.000 2.365 83 Q HA 0.685 5.025 4.340 0.001 0.000 0.269 83 Q C -1.299 174.851 176.000 0.249 0.000 1.061 83 Q CA -0.752 55.135 55.803 0.139 0.000 0.816 83 Q CB 2.369 31.180 28.738 0.121 0.000 1.325 83 Q HN 0.751 nan 8.270 nan 0.000 0.446 84 Y N -1.908 118.444 120.300 0.087 0.000 2.524 84 Y HA 0.773 5.324 4.550 0.001 0.000 0.347 84 Y C -0.718 175.263 175.900 0.135 0.000 1.005 84 Y CA -1.840 56.320 58.100 0.100 0.000 1.025 84 Y CB 0.442 38.955 38.460 0.089 0.000 1.275 84 Y HN 0.558 nan 8.280 nan 0.000 0.460 85 T N 0.588 115.153 114.554 0.019 0.000 2.910 85 T HA 0.417 4.767 4.350 0.001 0.000 0.293 85 T C -0.253 174.263 174.700 -0.307 0.000 1.015 85 T CA 0.217 62.247 62.100 -0.116 0.000 1.094 85 T CB 0.650 69.557 68.868 0.065 0.000 0.968 85 T HN 1.027 nan 8.240 nan 0.000 0.521 86 H N -1.594 117.339 119.070 -0.228 0.000 3.297 86 H HA 0.260 4.816 4.556 0.001 0.000 0.254 86 H C -0.106 175.093 175.328 -0.215 0.000 1.192 86 H CA -1.146 54.713 56.048 -0.314 0.000 1.058 86 H CB -1.311 28.298 29.762 -0.256 0.000 1.777 86 H HN 0.701 nan 8.280 nan 0.000 0.696 87 Y N 1.059 121.310 120.300 -0.082 0.000 2.741 87 Y HA 0.416 4.966 4.550 0.001 0.000 0.351 87 Y C 0.543 176.434 175.900 -0.015 0.000 1.274 87 Y CA -0.643 57.442 58.100 -0.025 0.000 1.482 87 Y CB 0.165 38.590 38.460 -0.057 0.000 1.357 87 Y HN 0.315 nan 8.280 nan 0.000 0.657 88 A N 2.562 125.482 122.820 0.166 0.000 2.452 88 A HA 0.751 5.071 4.320 0.001 0.000 0.285 88 A C -1.035 176.611 177.584 0.104 0.000 1.209 88 A CA -1.065 51.013 52.037 0.067 0.000 0.940 88 A CB 0.830 19.854 19.000 0.039 0.000 1.440 88 A HN 0.735 nan 8.150 nan 0.000 0.480 89 L N 1.346 122.596 121.223 0.045 0.000 2.346 89 L HA 0.336 4.677 4.340 0.001 0.000 0.274 89 L C -0.334 176.554 176.870 0.030 0.000 1.007 89 L CA -0.508 54.351 54.840 0.033 0.000 0.818 89 L CB 1.668 43.742 42.059 0.025 0.000 1.284 89 L HN 0.865 nan 8.230 nan 0.000 0.424 90 N N 2.737 121.430 118.700 -0.011 0.000 2.430 90 N HA 0.005 4.745 4.740 0.001 0.000 0.265 90 N C 0.784 176.288 175.510 -0.010 0.000 1.100 90 N CA 0.030 53.073 53.050 -0.012 0.000 0.961 90 N CB 1.372 39.834 38.487 -0.043 0.000 1.075 90 N HN 0.627 nan 8.380 nan 0.000 0.478 91 K N 3.823 124.213 120.400 -0.016 0.000 2.074 91 K HA -0.176 4.144 4.320 0.001 0.000 0.209 91 K C 1.217 177.753 176.600 -0.107 0.000 1.048 91 K CA 1.562 57.779 56.287 -0.116 0.000 0.926 91 K CB 0.227 32.516 32.500 -0.353 0.000 0.713 91 K HN 0.525 nan 8.250 nan 0.000 0.444 92 K N -0.777 119.575 120.400 -0.080 0.000 2.116 92 K HA -0.062 4.258 4.320 0.001 0.000 0.203 92 K C 2.170 178.753 176.600 -0.029 0.000 1.052 92 K CA 1.677 57.932 56.287 -0.053 0.000 0.952 92 K CB 0.057 32.529 32.500 -0.047 0.000 0.729 92 K HN 0.361 nan 8.250 nan 0.000 0.446 93 T N -3.168 111.369 114.554 -0.028 0.000 3.044 93 T HA 0.128 4.479 4.350 0.001 0.000 0.255 93 T C 1.448 176.139 174.700 -0.015 0.000 1.073 93 T CA 0.650 62.739 62.100 -0.019 0.000 1.125 93 T CB 0.339 69.193 68.868 -0.023 0.000 0.908 93 T HN 0.297 nan 8.240 nan 0.000 0.480 94 G N 1.390 110.176 108.800 -0.024 0.000 2.147 94 G HA2 -0.227 3.733 3.960 0.001 0.000 0.244 94 G HA3 -0.227 3.733 3.960 0.001 0.000 0.244 94 G C -0.090 174.796 174.900 -0.023 0.000 1.005 94 G CA 0.425 45.511 45.100 -0.022 0.000 0.713 94 G HN 0.730 nan 8.290 nan 0.000 0.515 95 K N 0.070 120.444 120.400 -0.043 0.000 2.185 95 K HA 0.580 4.901 4.320 0.001 0.000 0.240 95 K C -2.456 174.064 176.600 -0.135 0.000 0.983 95 K CA -2.294 53.947 56.287 -0.077 0.000 0.873 95 K CB 1.502 33.959 32.500 -0.073 0.000 1.118 95 K HN -0.031 nan 8.250 nan 0.000 0.441 96 P HA 0.035 nan 4.420 nan 0.000 0.274 96 P C -1.315 175.629 177.300 -0.593 0.000 1.231 96 P CA -0.037 62.808 63.100 -0.425 0.000 0.790 96 P CB 0.515 31.767 31.700 -0.747 0.000 0.951 97 D N 1.004 121.144 120.400 -0.433 0.000 2.469 97 D HA 0.146 4.787 4.640 0.001 0.000 0.251 97 D C 0.115 176.262 176.300 -0.255 0.000 1.173 97 D CA -0.460 53.356 54.000 -0.307 0.000 0.882 97 D CB 0.529 41.279 40.800 -0.084 0.000 1.129 97 D HN 0.244 nan 8.370 nan 0.000 0.549 98 Y N 1.432 121.759 120.300 0.045 0.000 2.483 98 Y HA 0.013 4.564 4.550 0.001 0.000 0.291 98 Y C 1.133 177.088 175.900 0.091 0.000 1.143 98 Y CA 0.356 58.487 58.100 0.052 0.000 1.289 98 Y CB 0.194 38.653 38.460 -0.002 0.000 0.983 98 Y HN 0.138 nan 8.280 nan 0.000 0.556 99 V N 0.649 120.676 119.914 0.188 0.000 2.325 99 V HA 0.173 4.294 4.120 0.001 0.000 0.280 99 V C 0.244 176.419 176.094 0.134 0.000 1.016 99 V CA -0.933 61.470 62.300 0.171 0.000 0.818 99 V CB 1.125 33.022 31.823 0.123 0.000 1.019 99 V HN 0.098 nan 8.190 nan 0.000 0.434 100 T N 3.418 118.080 114.554 0.180 0.000 2.868 100 T HA 0.244 4.594 4.350 0.001 0.000 0.292 100 T C 0.027 174.805 174.700 0.129 0.000 1.028 100 T CA -0.429 61.751 62.100 0.133 0.000 1.059 100 T CB 0.786 69.743 68.868 0.149 0.000 0.991 100 T HN 0.887 nan 8.240 nan 0.000 0.531 101 D N 1.158 121.620 120.400 0.104 0.000 2.506 101 D HA 0.151 4.791 4.640 0.001 0.000 0.272 101 D C 1.377 177.790 176.300 0.187 0.000 1.214 101 D CA -0.633 53.457 54.000 0.149 0.000 1.067 101 D CB 0.213 41.046 40.800 0.056 0.000 1.117 101 D HN 0.587 nan 8.370 nan 0.000 0.578 102 C N -0.319 119.136 119.300 0.258 0.000 2.419 102 C HA 0.106 4.566 4.460 0.001 0.000 0.281 102 C C 2.574 177.598 174.990 0.057 0.000 1.336 102 C CA 1.055 60.212 59.018 0.231 0.000 1.770 102 C CB -1.511 26.391 27.740 0.270 0.000 1.929 102 C HN 0.696 nan 8.230 nan 0.000 0.509 103 A N 0.600 123.417 122.820 -0.005 0.000 1.850 103 A HA 0.315 4.635 4.320 0.001 0.000 0.212 103 A C 2.383 179.853 177.584 -0.191 0.000 1.208 103 A CA 1.340 53.308 52.037 -0.114 0.000 0.609 103 A CB -1.144 17.793 19.000 -0.105 0.000 0.860 103 A HN 0.472 nan 8.150 nan 0.000 0.448 104 A N 0.592 123.318 122.820 -0.156 0.000 1.978 104 A HA -0.141 4.179 4.320 0.001 0.000 0.220 104 A C 2.484 179.957 177.584 -0.186 0.000 1.170 104 A CA 2.584 54.509 52.037 -0.186 0.000 0.636 104 A CB -0.948 17.976 19.000 -0.127 0.000 0.810 104 A HN 0.947 nan 8.150 nan 0.000 0.448 105 S N -0.015 115.607 115.700 -0.130 0.000 2.371 105 S HA 0.111 4.582 4.470 0.001 0.000 0.224 105 S C 2.104 176.448 174.600 -0.427 0.000 1.029 105 S CA 1.142 59.283 58.200 -0.097 0.000 0.978 105 S CB -0.720 62.530 63.200 0.085 0.000 0.833 105 S HN 0.912 nan 8.310 nan 0.000 0.466 106 A N 1.464 123.868 122.820 -0.694 0.000 2.015 106 A HA 0.044 4.364 4.320 0.001 0.000 0.219 106 A C 2.295 179.199 177.584 -1.134 0.000 1.163 106 A CA 1.781 52.937 52.037 -1.468 0.000 0.646 106 A CB -1.277 17.262 19.000 -0.769 0.000 0.806 106 A HN 0.577 nan 8.150 nan 0.000 0.448 107 T N -0.067 114.118 114.554 -0.616 0.000 2.809 107 T HA 0.127 4.477 4.350 0.001 0.000 0.260 107 T C 2.319 176.794 174.700 -0.374 0.000 1.039 107 T CA 1.136 62.975 62.100 -0.436 0.000 1.141 107 T CB -0.411 68.265 68.868 -0.319 0.000 0.869 107 T HN 0.559 nan 8.240 nan 0.000 0.437 108 A N 1.711 124.354 122.820 -0.295 0.000 1.892 108 A HA -0.164 4.157 4.320 0.001 0.000 0.218 108 A C 2.118 179.692 177.584 -0.016 0.000 1.188 108 A CA 2.117 54.058 52.037 -0.161 0.000 0.631 108 A CB -1.158 17.778 19.000 -0.107 0.000 0.822 108 A HN 0.866 nan 8.150 nan 0.000 0.447 109 W N 0.565 121.887 121.300 0.036 0.000 2.905 109 W HA 0.170 4.831 4.660 0.001 0.000 0.251 109 W C 1.677 178.336 176.519 0.234 0.000 1.305 109 W CA 0.932 58.375 57.345 0.163 0.000 1.465 109 W CB -0.722 28.851 29.460 0.188 0.000 1.122 109 W HN 0.352 nan 8.180 nan 0.000 0.659 110 S N -0.622 115.043 115.700 -0.057 0.000 2.502 110 S HA 0.070 4.540 4.470 0.001 0.000 0.215 110 S C 1.428 176.079 174.600 0.086 0.000 1.009 110 S CA 0.810 59.066 58.200 0.094 0.000 0.908 110 S CB -0.658 62.435 63.200 -0.178 0.000 0.801 110 S HN 0.285 nan 8.310 nan 0.000 0.505 111 T N -3.695 110.613 114.554 -0.409 0.000 2.980 111 T HA 0.512 4.862 4.350 0.001 0.000 0.252 111 T C 1.450 175.093 174.700 -1.761 0.000 0.962 111 T CA 0.605 62.189 62.100 -0.861 0.000 0.932 111 T CB -0.007 68.638 68.868 -0.372 0.000 1.188 111 T HN 1.283 nan 8.240 nan 0.000 0.500 112 G N 0.974 109.065 108.800 -1.181 0.000 2.171 112 G HA2 -0.025 3.936 3.960 0.001 0.000 0.238 112 G HA3 -0.025 3.936 3.960 0.001 0.000 0.238 112 G C -0.065 174.698 174.900 -0.230 0.000 1.039 112 G CA 0.141 44.860 45.100 -0.635 0.000 0.759 112 G HN 1.500 nan 8.290 nan 0.000 0.501 113 V N -1.132 118.603 119.914 -0.298 0.000 2.851 113 V HA 0.737 4.857 4.120 0.001 0.000 0.307 113 V C -0.448 175.523 176.094 -0.205 0.000 1.129 113 V CA -1.381 60.772 62.300 -0.245 0.000 0.932 113 V CB 1.807 33.383 31.823 -0.413 0.000 1.024 113 V HN 0.185 nan 8.190 nan 0.000 0.426 114 K N 3.074 123.384 120.400 -0.151 0.000 2.326 114 K HA 0.529 4.850 4.320 0.001 0.000 0.275 114 K C -0.096 176.428 176.600 -0.126 0.000 1.018 114 K CA 0.101 56.304 56.287 -0.139 0.000 0.962 114 K CB 1.476 33.921 32.500 -0.091 0.000 0.953 114 K HN 0.935 nan 8.250 nan 0.000 0.475 115 T N 0.885 115.359 114.554 -0.133 0.000 2.778 115 T HA 0.455 4.805 4.350 0.001 0.000 0.293 115 T C -1.192 173.448 174.700 -0.100 0.000 1.144 115 T CA -0.765 61.254 62.100 -0.135 0.000 1.010 115 T CB 0.406 69.132 68.868 -0.237 0.000 1.325 115 T HN 0.395 nan 8.240 nan 0.000 0.515 116 Y N 1.012 121.273 120.300 -0.065 0.000 2.326 116 Y HA 0.573 5.124 4.550 0.001 0.000 0.333 116 Y C 0.503 176.380 175.900 -0.038 0.000 1.240 116 Y CA -1.265 56.805 58.100 -0.050 0.000 1.365 116 Y CB -0.092 38.339 38.460 -0.047 0.000 1.289 116 Y HN 0.357 nan 8.280 nan 0.000 0.548 117 N N 1.633 120.382 118.700 0.081 0.000 2.440 117 N HA 0.271 5.011 4.740 0.001 0.000 0.265 117 N C 0.901 176.434 175.510 0.039 0.000 1.239 117 N CA 1.242 54.306 53.050 0.023 0.000 0.909 117 N CB 0.684 39.204 38.487 0.055 0.000 1.066 117 N HN 1.089 nan 8.380 nan 0.000 0.474 118 G N 0.086 108.845 108.800 -0.069 0.000 2.163 118 G HA2 -0.107 3.853 3.960 0.001 0.000 0.213 118 G HA3 -0.107 3.853 3.960 0.001 0.000 0.213 118 G C 0.018 174.827 174.900 -0.152 0.000 0.991 118 G CA 0.019 45.097 45.100 -0.037 0.000 0.653 118 G HN 0.857 nan 8.290 nan 0.000 0.518 119 A N 0.059 122.622 122.820 -0.429 0.000 2.312 119 A HA 0.881 5.201 4.320 0.001 0.000 0.328 119 A C -0.157 177.243 177.584 -0.306 0.000 1.158 119 A CA -0.465 51.262 52.037 -0.516 0.000 0.821 119 A CB 0.996 19.328 19.000 -1.114 0.000 1.170 119 A HN 0.802 nan 8.150 nan 0.000 0.490 120 L N 2.271 123.366 121.223 -0.214 0.000 2.388 120 L HA 0.511 4.851 4.340 0.001 0.000 0.267 120 L C 1.061 177.799 176.870 -0.220 0.000 0.995 120 L CA 0.167 54.878 54.840 -0.214 0.000 0.864 120 L CB 1.381 43.330 42.059 -0.184 0.000 1.216 120 L HN 1.258 nan 8.230 nan 0.000 0.430 121 G N 2.632 111.303 108.800 -0.215 0.000 2.155 121 G HA2 -0.240 3.720 3.960 0.001 0.000 0.257 121 G HA3 -0.240 3.720 3.960 0.001 0.000 0.257 121 G C -0.021 174.984 174.900 0.176 0.000 0.983 121 G CA 0.410 45.446 45.100 -0.106 0.000 0.676 121 G HN 0.648 nan 8.290 nan 0.000 0.528 122 V N -1.443 118.509 119.914 0.063 0.000 2.680 122 V HA 0.824 4.945 4.120 0.001 0.000 0.309 122 V C 0.166 176.310 176.094 0.083 0.000 1.052 122 V CA -0.416 61.959 62.300 0.125 0.000 0.908 122 V CB 1.975 33.858 31.823 0.101 0.000 1.001 122 V HN 0.395 nan 8.190 nan 0.000 0.431 123 D N 3.821 124.336 120.400 0.192 0.000 2.447 123 D HA 0.205 4.846 4.640 0.001 0.000 0.265 123 D C 1.453 177.841 176.300 0.145 0.000 1.250 123 D CA -0.013 54.056 54.000 0.114 0.000 1.046 123 D CB 0.424 41.331 40.800 0.178 0.000 1.095 123 D HN 0.716 nan 8.370 nan 0.000 0.555 124 I N -2.904 117.688 120.570 0.037 0.000 2.567 124 I HA -0.204 3.967 4.170 0.001 0.000 0.257 124 I C 1.314 177.423 176.117 -0.013 0.000 1.184 124 I CA 1.054 62.411 61.300 0.096 0.000 1.451 124 I CB -0.688 37.245 38.000 -0.113 0.000 1.089 124 I HN 0.245 nan 8.210 nan 0.000 0.441 125 H N 1.681 120.835 119.070 0.140 0.000 2.551 125 H HA 0.128 4.685 4.556 0.001 0.000 0.266 125 H C 0.575 175.955 175.328 0.086 0.000 0.977 125 H CA 0.710 56.807 56.048 0.082 0.000 1.163 125 H CB -0.013 29.791 29.762 0.070 0.000 1.381 125 H HN 0.555 nan 8.280 nan 0.000 0.581 126 E N -0.773 119.565 120.200 0.229 0.000 4.047 126 E HA -0.158 4.193 4.350 0.001 0.000 0.340 126 E C -0.198 176.475 176.600 0.121 0.000 0.720 126 E CA 0.336 56.851 56.400 0.191 0.000 1.320 126 E CB -0.993 28.792 29.700 0.141 0.000 1.685 126 E HN 0.181 nan 8.360 nan 0.000 0.416 127 K N 2.030 122.498 120.400 0.113 0.000 2.185 127 K HA 0.201 4.521 4.320 0.001 0.000 0.271 127 K C -0.182 176.330 176.600 -0.146 0.000 1.013 127 K CA -0.206 56.066 56.287 -0.026 0.000 0.943 127 K CB 0.571 33.041 32.500 -0.050 0.000 0.998 127 K HN 0.020 nan 8.250 nan 0.000 0.468 128 D N 1.760 122.015 120.400 -0.242 0.000 2.313 128 D HA 0.204 4.845 4.640 0.001 0.000 0.247 128 D C -0.065 175.919 176.300 -0.527 0.000 1.094 128 D CA 0.096 53.943 54.000 -0.255 0.000 0.925 128 D CB 0.658 41.235 40.800 -0.371 0.000 1.188 128 D HN 0.404 nan 8.370 nan 0.000 0.430 129 H N -0.187 118.871 119.070 -0.019 0.000 2.894 129 H HA 0.285 4.841 4.556 0.001 0.000 0.367 129 H C -2.379 172.974 175.328 0.040 0.000 1.144 129 H CA -1.516 54.518 56.048 -0.023 0.000 1.180 129 H CB 2.242 31.975 29.762 -0.048 0.000 1.758 129 H HN 0.132 nan 8.280 nan 0.000 0.541 130 P HA -0.031 nan 4.420 nan 0.000 0.268 130 P C 0.303 177.695 177.300 0.154 0.000 1.204 130 P CA -0.010 63.162 63.100 0.120 0.000 0.768 130 P CB 0.641 32.388 31.700 0.077 0.000 0.842 131 T N -0.121 114.520 114.554 0.145 0.000 2.902 131 T HA 0.195 4.546 4.350 0.001 0.000 0.280 131 T C 1.250 175.990 174.700 0.066 0.000 0.992 131 T CA -0.699 61.468 62.100 0.112 0.000 1.015 131 T CB 0.640 69.525 68.868 0.028 0.000 1.044 131 T HN 0.181 nan 8.240 nan 0.000 0.520 132 I N 1.429 122.020 120.570 0.034 0.000 2.335 132 I HA -0.041 4.130 4.170 0.001 0.000 0.251 132 I C 2.044 177.848 176.117 -0.522 0.000 1.129 132 I CA 1.201 62.318 61.300 -0.306 0.000 1.402 132 I CB -0.612 37.118 38.000 -0.449 0.000 1.069 132 I HN 0.809 nan 8.210 nan 0.000 0.424 133 L N 0.327 121.279 121.223 -0.452 0.000 1.994 133 L HA -0.249 4.091 4.340 0.001 0.000 0.208 133 L C 2.434 179.243 176.870 -0.103 0.000 1.071 133 L CA 1.912 56.573 54.840 -0.299 0.000 0.745 133 L CB -0.579 41.479 42.059 -0.001 0.000 0.892 133 L HN 0.287 nan 8.230 nan 0.000 0.431 134 E N -0.456 119.720 120.200 -0.040 0.000 2.058 134 E HA -0.298 4.052 4.350 0.001 0.000 0.194 134 E C 2.199 178.790 176.600 -0.016 0.000 0.997 134 E CA 1.871 58.275 56.400 0.007 0.000 0.801 134 E CB -0.305 29.424 29.700 0.049 0.000 0.746 134 E HN 0.553 nan 8.360 nan 0.000 0.450 135 M N 0.591 120.163 119.600 -0.047 0.000 2.117 135 M HA -0.175 4.306 4.480 0.001 0.000 0.262 135 M C 2.519 178.781 176.300 -0.064 0.000 1.065 135 M CA 1.445 56.711 55.300 -0.056 0.000 1.114 135 M CB -0.292 32.259 32.600 -0.082 0.000 1.361 135 M HN 0.170 nan 8.290 nan 0.000 0.408 136 A N 0.292 123.054 122.820 -0.096 0.000 1.883 136 A HA -0.218 4.103 4.320 0.001 0.000 0.217 136 A C 2.155 179.749 177.584 0.016 0.000 1.186 136 A CA 1.924 53.936 52.037 -0.041 0.000 0.624 136 A CB -0.649 18.340 19.000 -0.018 0.000 0.822 136 A HN 0.407 nan 8.150 nan 0.000 0.444 137 K N -0.671 119.744 120.400 0.025 0.000 2.026 137 K HA -0.106 4.214 4.320 0.001 0.000 0.208 137 K C 2.300 178.916 176.600 0.027 0.000 1.048 137 K CA 1.132 57.444 56.287 0.041 0.000 0.929 137 K CB -0.309 32.219 32.500 0.047 0.000 0.713 137 K HN 0.431 nan 8.250 nan 0.000 0.439 138 A N 1.067 123.895 122.820 0.014 0.000 1.908 138 A HA -0.111 4.209 4.320 0.001 0.000 0.218 138 A C 2.098 179.688 177.584 0.009 0.000 1.181 138 A CA 1.875 53.919 52.037 0.011 0.000 0.627 138 A CB -0.609 18.394 19.000 0.005 0.000 0.818 138 A HN 0.393 nan 8.150 nan 0.000 0.445 139 A N -1.466 121.355 122.820 0.003 0.000 2.258 139 A HA 0.392 4.713 4.320 0.001 0.000 0.206 139 A C 1.748 179.341 177.584 0.015 0.000 1.222 139 A CA 1.191 53.229 52.037 0.003 0.000 0.822 139 A CB -1.385 17.609 19.000 -0.010 0.000 0.804 139 A HN 1.975 nan 8.150 nan 0.000 0.483 140 G N -1.501 107.314 108.800 0.024 0.000 2.162 140 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 140 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 140 G C 0.229 175.159 174.900 0.050 0.000 0.976 140 G CA 0.503 45.623 45.100 0.033 0.000 0.655 140 G HN 0.451 nan 8.290 nan 0.000 0.533 141 L N -0.073 121.186 121.223 0.061 0.000 2.490 141 L HA 0.686 5.027 4.340 0.001 0.000 0.245 141 L C 1.164 178.107 176.870 0.122 0.000 1.185 141 L CA -0.301 54.598 54.840 0.098 0.000 0.813 141 L CB 0.620 42.743 42.059 0.107 0.000 1.233 141 L HN 0.302 nan 8.230 nan 0.000 0.489 142 A N 0.049 122.976 122.820 0.179 0.000 2.306 142 A HA 0.612 4.933 4.320 0.001 0.000 0.314 142 A C -0.180 177.528 177.584 0.207 0.000 1.164 142 A CA -0.378 51.755 52.037 0.161 0.000 0.822 142 A CB 0.758 19.841 19.000 0.139 0.000 1.130 142 A HN 0.698 nan 8.150 nan 0.000 0.496 143 T N -0.451 114.195 114.554 0.153 0.000 2.855 143 T HA 0.769 5.119 4.350 0.001 0.000 0.281 143 T C -0.014 174.754 174.700 0.113 0.000 1.007 143 T CA -0.137 62.084 62.100 0.201 0.000 1.009 143 T CB 1.796 70.786 68.868 0.204 0.000 0.983 143 T HN 1.394 nan 8.240 nan 0.000 0.455 144 G N 0.887 109.750 108.800 0.104 0.000 2.682 144 G HA2 0.543 4.504 3.960 0.001 0.000 0.300 144 G HA3 0.543 4.504 3.960 0.001 0.000 0.300 144 G C -1.541 173.376 174.900 0.028 0.000 1.391 144 G CA -0.858 44.249 45.100 0.012 0.000 0.990 144 G HN 0.741 nan 8.290 nan 0.000 0.501 145 N N 1.310 120.033 118.700 0.039 0.000 2.685 145 N HA 0.335 5.075 4.740 0.001 0.000 0.252 145 N C -1.118 174.417 175.510 0.041 0.000 1.261 145 N CA -0.245 52.843 53.050 0.063 0.000 0.768 145 N CB 1.629 40.179 38.487 0.105 0.000 1.304 145 N HN 0.269 nan 8.380 nan 0.000 0.536 146 V N 1.223 121.146 119.914 0.014 0.000 2.472 146 V HA 0.763 4.884 4.120 0.001 0.000 0.290 146 V C 0.223 176.333 176.094 0.026 0.000 1.037 146 V CA -0.462 61.849 62.300 0.019 0.000 0.908 146 V CB 1.300 33.116 31.823 -0.011 0.000 0.985 146 V HN 0.625 nan 8.190 nan 0.000 0.454 147 S N 2.018 117.743 115.700 0.042 0.000 2.565 147 S HA 0.426 4.897 4.470 0.001 0.000 0.269 147 S C 0.564 175.191 174.600 0.046 0.000 1.153 147 S CA 0.166 58.389 58.200 0.039 0.000 0.835 147 S CB 2.188 65.417 63.200 0.049 0.000 1.122 147 S HN 0.934 nan 8.310 nan 0.000 0.462 148 T N 0.561 115.134 114.554 0.032 0.000 3.065 148 T HA 0.538 4.889 4.350 0.001 0.000 0.252 148 T C 0.973 175.701 174.700 0.047 0.000 1.099 148 T CA 0.467 62.587 62.100 0.033 0.000 1.063 148 T CB -0.046 68.826 68.868 0.006 0.000 0.948 148 T HN 0.847 nan 8.240 nan 0.000 0.506 149 A N 1.570 124.420 122.820 0.051 0.000 2.529 149 A HA 0.602 4.922 4.320 0.001 0.000 0.269 149 A C 0.003 177.622 177.584 0.059 0.000 1.509 149 A CA -0.796 51.277 52.037 0.060 0.000 0.857 149 A CB 0.257 19.297 19.000 0.066 0.000 1.531 149 A HN 0.476 nan 8.150 nan 0.000 0.541 150 E N -0.744 119.493 120.200 0.063 0.000 2.366 150 E HA 0.292 4.643 4.350 0.001 0.000 0.266 150 E C 0.449 177.052 176.600 0.006 0.000 1.051 150 E CA -0.224 56.208 56.400 0.053 0.000 0.884 150 E CB 0.765 30.516 29.700 0.085 0.000 1.006 150 E HN 0.487 nan 8.360 nan 0.000 0.417 151 L N 1.930 123.157 121.223 0.006 0.000 2.275 151 L HA -0.199 4.142 4.340 0.001 0.000 0.215 151 L C 1.869 178.671 176.870 -0.113 0.000 1.119 151 L CA 1.058 55.890 54.840 -0.013 0.000 0.790 151 L CB -0.156 41.926 42.059 0.039 0.000 0.919 151 L HN 0.565 nan 8.230 nan 0.000 0.443 152 Q N -0.694 118.963 119.800 -0.239 0.000 2.369 152 Q HA -0.071 4.270 4.340 0.001 0.000 0.206 152 Q C 0.523 176.143 176.000 -0.633 0.000 0.963 152 Q CA 0.350 55.804 55.803 -0.582 0.000 0.894 152 Q CB -0.042 28.062 28.738 -1.056 0.000 0.965 152 Q HN 0.295 nan 8.270 nan 0.000 0.475 153 D N -0.710 119.503 120.400 -0.311 0.000 2.378 153 D HA 0.058 4.699 4.640 0.001 0.000 0.238 153 D C 0.897 177.155 176.300 -0.069 0.000 1.180 153 D CA 0.592 54.537 54.000 -0.092 0.000 0.895 153 D CB 0.743 41.568 40.800 0.041 0.000 1.192 153 D HN 0.144 nan 8.370 nan 0.000 0.438 154 A N 2.417 125.235 122.820 -0.002 0.000 1.870 154 A HA -0.323 3.998 4.320 0.001 0.000 0.219 154 A C 2.143 179.700 177.584 -0.044 0.000 1.286 154 A CA 3.338 55.361 52.037 -0.025 0.000 0.682 154 A CB -1.574 17.434 19.000 0.014 0.000 0.844 154 A HN 0.758 nan 8.150 nan 0.000 0.460 155 T N 0.892 115.458 114.554 0.020 0.000 2.594 155 T HA -0.179 4.171 4.350 0.001 0.000 0.266 155 T C -0.037 174.699 174.700 0.060 0.000 1.070 155 T CA 2.214 64.358 62.100 0.073 0.000 1.166 155 T CB -1.770 67.212 68.868 0.190 0.000 0.862 155 T HN 0.615 nan 8.240 nan 0.000 0.436 156 P HA -0.011 nan 4.420 nan 0.000 0.214 156 P C 1.698 178.988 177.300 -0.015 0.000 1.162 156 P CA 1.695 64.818 63.100 0.038 0.000 0.879 156 P CB -0.380 31.334 31.700 0.022 0.000 0.786 157 A N 1.253 124.029 122.820 -0.072 0.000 1.915 157 A HA -0.235 4.086 4.320 0.001 0.000 0.220 157 A C 2.484 179.983 177.584 -0.142 0.000 1.198 157 A CA 2.875 54.839 52.037 -0.123 0.000 0.647 157 A CB -1.826 17.073 19.000 -0.168 0.000 0.825 157 A HN 0.267 nan 8.150 nan 0.000 0.456 158 A N -1.309 121.418 122.820 -0.155 0.000 2.272 158 A HA 0.134 4.454 4.320 0.001 0.000 0.213 158 A C 1.802 179.272 177.584 -0.191 0.000 1.183 158 A CA 1.333 53.238 52.037 -0.219 0.000 0.719 158 A CB -0.468 18.358 19.000 -0.289 0.000 0.771 158 A HN 0.524 nan 8.150 nan 0.000 0.484 159 L N -1.305 119.861 121.223 -0.096 0.000 2.609 159 L HA 0.067 4.407 4.340 0.001 0.000 0.230 159 L C 1.570 178.416 176.870 -0.039 0.000 1.087 159 L CA 0.540 55.360 54.840 -0.033 0.000 0.874 159 L CB 0.648 42.766 42.059 0.098 0.000 1.114 159 L HN 0.340 nan 8.230 nan 0.000 0.488 160 V N -4.695 115.176 119.914 -0.072 0.000 3.502 160 V HA 0.583 4.703 4.120 0.001 0.000 0.288 160 V C 0.516 176.556 176.094 -0.090 0.000 1.461 160 V CA 0.029 62.303 62.300 -0.044 0.000 1.029 160 V CB 0.270 32.092 31.823 -0.002 0.000 0.843 160 V HN 0.093 nan 8.190 nan 0.000 0.438 161 A N -0.129 122.557 122.820 -0.223 0.000 2.469 161 A HA 0.861 5.182 4.320 0.001 0.000 0.299 161 A C -1.061 176.205 177.584 -0.530 0.000 1.098 161 A CA -0.534 51.364 52.037 -0.230 0.000 0.737 161 A CB 1.229 20.145 19.000 -0.140 0.000 1.312 161 A HN 0.477 nan 8.150 nan 0.000 0.414 162 H N 0.992 120.037 119.070 -0.042 0.000 2.854 162 H HA 0.470 5.027 4.556 0.001 0.000 0.275 162 H C -0.957 174.356 175.328 -0.025 0.000 1.198 162 H CA -0.221 55.805 56.048 -0.037 0.000 1.489 162 H CB 1.029 30.772 29.762 -0.032 0.000 1.519 162 H HN 0.701 nan 8.280 nan 0.000 0.503 163 V N -0.116 119.810 119.914 0.020 0.000 2.962 163 V HA 0.394 4.514 4.120 0.001 0.000 0.313 163 V C 1.220 177.339 176.094 0.042 0.000 1.099 163 V CA -0.726 61.594 62.300 0.034 0.000 0.971 163 V CB 1.896 33.727 31.823 0.014 0.000 1.028 163 V HN 0.617 nan 8.190 nan 0.000 0.430 164 T N -1.102 113.502 114.554 0.082 0.000 2.951 164 T HA 0.067 4.418 4.350 0.001 0.000 0.268 164 T C 0.915 175.714 174.700 0.164 0.000 1.073 164 T CA 1.178 63.371 62.100 0.156 0.000 1.134 164 T CB -0.096 68.863 68.868 0.152 0.000 0.884 164 T HN 1.103 nan 8.240 nan 0.000 0.479 165 S N 1.005 116.762 115.700 0.095 0.000 2.502 165 S HA 0.407 4.877 4.470 0.001 0.000 0.304 165 S C 0.939 175.573 174.600 0.057 0.000 1.097 165 S CA -1.125 57.126 58.200 0.085 0.000 1.045 165 S CB 1.375 64.619 63.200 0.074 0.000 1.019 165 S HN 0.508 nan 8.310 nan 0.000 0.481 166 R N 3.385 123.913 120.500 0.047 0.000 2.357 166 R HA 0.122 4.463 4.340 0.001 0.000 0.202 166 R C 1.039 177.443 176.300 0.173 0.000 1.047 166 R CA 0.890 57.029 56.100 0.065 0.000 1.034 166 R CB -0.260 30.067 30.300 0.044 0.000 0.875 166 R HN 0.475 nan 8.270 nan 0.000 0.473 167 K N 0.249 120.723 120.400 0.123 0.000 2.400 167 K HA 0.102 4.423 4.320 0.001 0.000 0.194 167 K C 0.082 176.766 176.600 0.139 0.000 1.033 167 K CA 0.174 56.516 56.287 0.091 0.000 1.021 167 K CB 0.385 32.879 32.500 -0.009 0.000 0.808 167 K HN 0.149 nan 8.250 nan 0.000 0.505 168 c N 2.656 121.345 118.600 0.149 0.000 3.506 168 c HA 0.111 4.682 4.570 0.001 0.000 0.578 168 c C 1.359 175.550 174.090 0.168 0.000 1.153 168 c CA -0.852 55.548 56.329 0.119 0.000 1.248 168 c CB -2.405 40.141 42.510 0.060 0.000 1.532 168 c HN 0.348 nan 8.230 nan 0.000 0.646 169 Y N 1.937 122.209 120.300 -0.046 0.000 2.006 169 Y HA -0.015 4.535 4.550 0.001 0.000 0.266 169 Y C 1.997 177.840 175.900 -0.094 0.000 1.133 169 Y CA 1.996 60.059 58.100 -0.062 0.000 1.098 169 Y CB -1.019 37.413 38.460 -0.047 0.000 0.969 169 Y HN 0.482 nan 8.280 nan 0.000 0.482 170 G N -2.801 106.057 108.800 0.097 0.000 3.016 170 G HA2 0.364 4.325 3.960 0.001 0.000 0.270 170 G HA3 0.364 4.325 3.960 0.001 0.000 0.270 170 G C -2.014 172.876 174.900 -0.017 0.000 1.352 170 G CA -1.059 44.028 45.100 -0.022 0.000 1.060 170 G HN -0.070 nan 8.290 nan 0.000 0.538 171 P HA -0.272 nan 4.420 nan 0.000 0.222 171 P C 2.334 179.629 177.300 -0.008 0.000 1.159 171 P CA 3.141 66.227 63.100 -0.024 0.000 0.920 171 P CB 0.087 31.771 31.700 -0.026 0.000 0.793 172 S N -1.220 114.476 115.700 -0.007 0.000 2.362 172 S HA -0.033 4.438 4.470 0.001 0.000 0.221 172 S C 2.148 176.746 174.600 -0.004 0.000 1.032 172 S CA 1.026 59.223 58.200 -0.005 0.000 0.973 172 S CB -1.565 61.630 63.200 -0.008 0.000 0.849 172 S HN 0.160 nan 8.310 nan 0.000 0.465 173 A N 2.068 124.886 122.820 -0.003 0.000 1.903 173 A HA -0.129 4.192 4.320 0.001 0.000 0.219 173 A C 2.425 180.013 177.584 0.006 0.000 1.191 173 A CA 2.478 54.513 52.037 -0.004 0.000 0.638 173 A CB -1.884 17.119 19.000 0.004 0.000 0.823 173 A HN 0.603 nan 8.150 nan 0.000 0.451 174 T N -0.097 114.465 114.554 0.013 0.000 2.708 174 T HA -0.113 4.237 4.350 0.001 0.000 0.266 174 T C 2.250 176.956 174.700 0.009 0.000 1.037 174 T CA 1.584 63.692 62.100 0.014 0.000 1.146 174 T CB -0.401 68.473 68.868 0.010 0.000 0.865 174 T HN 0.506 nan 8.240 nan 0.000 0.435 175 S N 1.579 117.281 115.700 0.004 0.000 2.365 175 S HA -0.214 4.256 4.470 0.001 0.000 0.225 175 S C 2.212 176.814 174.600 0.002 0.000 1.039 175 S CA 1.853 60.055 58.200 0.003 0.000 1.033 175 S CB -0.330 62.871 63.200 0.001 0.000 0.887 175 S HN 0.849 nan 8.310 nan 0.000 0.447 176 E N 1.165 121.365 120.200 -0.000 0.000 2.045 176 E HA 0.028 4.379 4.350 0.001 0.000 0.190 176 E C 1.715 178.315 176.600 0.000 0.000 0.968 176 E CA 0.590 56.989 56.400 -0.002 0.000 0.813 176 E CB -0.329 29.367 29.700 -0.007 0.000 0.780 176 E HN 0.272 nan 8.360 nan 0.000 0.455 177 K N -0.385 120.015 120.400 0.001 0.000 2.365 177 K HA 0.089 4.410 4.320 0.001 0.000 0.199 177 K C -0.043 176.567 176.600 0.017 0.000 1.045 177 K CA 0.571 56.861 56.287 0.006 0.000 0.962 177 K CB 0.228 32.730 32.500 0.004 0.000 0.759 177 K HN 0.143 nan 8.250 nan 0.000 0.469 178 c N 0.900 119.511 118.600 0.018 0.000 3.517 178 c HA 0.249 4.819 4.570 0.001 0.000 0.202 178 c C -1.981 172.120 174.090 0.018 0.000 1.370 178 c CA -1.329 55.016 56.329 0.025 0.000 1.308 178 c CB 0.594 43.123 42.510 0.032 0.000 1.840 178 c HN 0.191 nan 8.230 nan 0.000 0.525 179 P HA -0.086 nan 4.420 nan 0.000 0.215 179 P C 1.753 179.059 177.300 0.011 0.000 1.153 179 P CA 1.693 64.799 63.100 0.009 0.000 0.853 179 P CB 0.160 31.863 31.700 0.005 0.000 0.788 180 G N -1.131 107.678 108.800 0.014 0.000 2.535 180 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 180 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 180 G C 1.124 176.035 174.900 0.018 0.000 1.122 180 G CA 0.795 45.905 45.100 0.015 0.000 0.769 180 G HN 0.339 nan 8.290 nan 0.000 0.549 181 N N -0.327 118.386 118.700 0.021 0.000 2.197 181 N HA 0.323 5.064 4.740 0.001 0.000 0.201 181 N C 0.846 176.366 175.510 0.017 0.000 1.148 181 N CA 0.121 53.184 53.050 0.022 0.000 0.883 181 N CB 0.562 39.067 38.487 0.030 0.000 1.012 181 N HN 0.228 nan 8.380 nan 0.000 0.507 182 A N 1.078 123.907 122.820 0.014 0.000 2.550 182 A HA -0.049 4.271 4.320 0.001 0.000 0.263 182 A C 1.398 178.990 177.584 0.013 0.000 1.065 182 A CA -0.036 52.007 52.037 0.011 0.000 0.786 182 A CB -0.214 18.791 19.000 0.009 0.000 0.985 182 A HN 0.391 nan 8.150 nan 0.000 0.518 183 L N 2.596 123.827 121.223 0.014 0.000 2.089 183 L HA -0.225 4.115 4.340 0.001 0.000 0.213 183 L C 2.629 179.512 176.870 0.021 0.000 1.079 183 L CA 2.749 57.602 54.840 0.022 0.000 0.758 183 L CB -0.363 41.715 42.059 0.031 0.000 0.891 183 L HN 0.887 nan 8.230 nan 0.000 0.433 184 E N -0.090 120.120 120.200 0.017 0.000 2.268 184 E HA -0.261 4.089 4.350 0.001 0.000 0.195 184 E C 1.623 178.229 176.600 0.010 0.000 0.995 184 E CA 1.428 57.837 56.400 0.014 0.000 0.836 184 E CB -0.362 29.346 29.700 0.012 0.000 0.763 184 E HN 0.569 nan 8.360 nan 0.000 0.491 185 K N -0.182 120.224 120.400 0.009 0.000 2.404 185 K HA 0.196 4.517 4.320 0.001 0.000 0.194 185 K C 0.746 177.350 176.600 0.006 0.000 1.023 185 K CA 0.445 56.736 56.287 0.006 0.000 1.094 185 K CB 0.557 33.060 32.500 0.006 0.000 0.841 185 K HN 0.321 nan 8.250 nan 0.000 0.523 186 G N 0.774 109.579 108.800 0.009 0.000 2.144 186 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 186 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 186 G C 0.343 175.249 174.900 0.009 0.000 0.988 186 G CA -0.380 44.725 45.100 0.008 0.000 0.659 186 G HN 0.464 nan 8.290 nan 0.000 0.522 187 G N -0.666 108.141 108.800 0.012 0.000 2.580 187 G HA2 0.527 4.487 3.960 0.001 0.000 0.278 187 G HA3 0.527 4.487 3.960 0.001 0.000 0.278 187 G C 0.851 175.762 174.900 0.018 0.000 1.212 187 G CA 0.109 45.217 45.100 0.014 0.000 0.939 187 G HN 0.277 nan 8.290 nan 0.000 0.513 188 K N -0.404 120.008 120.400 0.020 0.000 2.288 188 K HA 0.237 4.558 4.320 0.001 0.000 0.201 188 K C 1.239 177.853 176.600 0.024 0.000 1.048 188 K CA 0.895 57.197 56.287 0.025 0.000 0.956 188 K CB -0.054 32.465 32.500 0.031 0.000 0.746 188 K HN 0.926 nan 8.250 nan 0.000 0.461 189 G N 0.488 109.298 108.800 0.017 0.000 2.384 189 G HA2 -0.180 3.781 3.960 0.001 0.000 0.668 189 G HA3 -0.180 3.781 3.960 0.001 0.000 0.668 189 G C -0.408 174.486 174.900 -0.009 0.000 1.280 189 G CA -0.485 44.617 45.100 0.003 0.000 0.992 189 G HN 0.187 nan 8.290 nan 0.000 0.512 190 S N -0.975 114.708 115.700 -0.029 0.000 2.606 190 S HA 0.478 4.949 4.470 0.001 0.000 0.257 190 S C 1.878 176.436 174.600 -0.070 0.000 1.327 190 S CA 0.237 58.413 58.200 -0.038 0.000 0.984 190 S CB 0.583 63.755 63.200 -0.047 0.000 0.941 190 S HN 0.968 nan 8.310 nan 0.000 0.576 191 I N 0.815 121.335 120.570 -0.083 0.000 2.179 191 I HA -0.189 3.981 4.170 0.001 0.000 0.242 191 I C 2.722 178.729 176.117 -0.184 0.000 1.088 191 I CA 1.622 62.843 61.300 -0.131 0.000 1.357 191 I CB -1.262 36.633 38.000 -0.176 0.000 1.051 191 I HN 0.725 nan 8.210 nan 0.000 0.409 192 T N 0.018 114.428 114.554 -0.241 0.000 2.652 192 T HA -0.225 4.125 4.350 0.001 0.000 0.267 192 T C 1.789 176.274 174.700 -0.359 0.000 1.039 192 T CA 1.610 63.473 62.100 -0.394 0.000 1.153 192 T CB -0.365 68.171 68.868 -0.553 0.000 0.863 192 T HN 0.347 nan 8.240 nan 0.000 0.428 193 E N 0.961 121.004 120.200 -0.262 0.000 2.049 193 E HA -0.187 4.163 4.350 0.001 0.000 0.198 193 E C 2.532 179.049 176.600 -0.139 0.000 1.007 193 E CA 1.335 57.616 56.400 -0.198 0.000 0.809 193 E CB -0.124 29.506 29.700 -0.116 0.000 0.749 193 E HN 0.547 nan 8.360 nan 0.000 0.450 194 Q N -0.001 119.742 119.800 -0.094 0.000 2.224 194 Q HA -0.116 4.225 4.340 0.001 0.000 0.203 194 Q C 2.366 178.340 176.000 -0.045 0.000 0.970 194 Q CA 0.726 56.504 55.803 -0.041 0.000 0.865 194 Q CB -0.060 28.674 28.738 -0.006 0.000 0.922 194 Q HN 0.340 nan 8.270 nan 0.000 0.445 195 L N 0.262 121.432 121.223 -0.089 0.000 2.046 195 L HA -0.172 4.169 4.340 0.001 0.000 0.208 195 L C 1.948 178.796 176.870 -0.037 0.000 1.077 195 L CA 1.200 56.005 54.840 -0.059 0.000 0.747 195 L CB -0.053 41.957 42.059 -0.082 0.000 0.896 195 L HN 0.207 nan 8.230 nan 0.000 0.432 196 L N -0.100 121.049 121.223 -0.123 0.000 2.217 196 L HA -0.133 4.208 4.340 0.001 0.000 0.211 196 L C 2.153 179.020 176.870 -0.005 0.000 1.107 196 L CA 0.544 55.289 54.840 -0.158 0.000 0.783 196 L CB -0.603 41.254 42.059 -0.337 0.000 0.919 196 L HN 0.364 nan 8.230 nan 0.000 0.442 197 N N 0.258 118.944 118.700 -0.024 0.000 2.216 197 N HA -0.078 4.662 4.740 0.001 0.000 0.183 197 N C 1.888 177.441 175.510 0.073 0.000 1.017 197 N CA 1.285 54.352 53.050 0.028 0.000 0.861 197 N CB -0.105 38.396 38.487 0.024 0.000 0.986 197 N HN 0.248 nan 8.380 nan 0.000 0.428 198 A N 0.728 123.590 122.820 0.069 0.000 1.933 198 A HA -0.093 4.227 4.320 0.001 0.000 0.218 198 A C 1.061 178.708 177.584 0.105 0.000 1.175 198 A CA 0.868 52.953 52.037 0.082 0.000 0.628 198 A CB -0.429 18.613 19.000 0.069 0.000 0.814 198 A HN 0.409 nan 8.150 nan 0.000 0.444 199 R N -1.688 118.913 120.500 0.167 0.000 3.205 199 R HA -0.173 4.168 4.340 0.001 0.000 0.249 199 R C 0.009 176.370 176.300 0.102 0.000 0.937 199 R CA 0.151 56.356 56.100 0.175 0.000 0.641 199 R CB -1.942 28.405 30.300 0.078 0.000 1.114 199 R HN 0.846 nan 8.270 nan 0.000 0.451 200 A N 1.069 123.967 122.820 0.130 0.000 2.388 200 A HA 0.160 4.481 4.320 0.001 0.000 0.257 200 A C 1.105 178.732 177.584 0.071 0.000 1.095 200 A CA -0.077 52.022 52.037 0.103 0.000 0.791 200 A CB 0.379 19.453 19.000 0.122 0.000 1.029 200 A HN 0.553 nan 8.150 nan 0.000 0.489 201 D N 0.491 120.914 120.400 0.038 0.000 2.133 201 D HA -0.096 4.545 4.640 0.001 0.000 0.195 201 D C 0.122 176.420 176.300 -0.004 0.000 0.997 201 D CA 1.671 55.669 54.000 -0.004 0.000 0.840 201 D CB -0.031 40.763 40.800 -0.010 0.000 0.947 201 D HN 0.230 nan 8.370 nan 0.000 0.452 202 V N 0.786 120.706 119.914 0.011 0.000 2.482 202 V HA 0.246 4.367 4.120 0.001 0.000 0.295 202 V C -0.442 175.672 176.094 0.034 0.000 1.026 202 V CA -0.463 61.840 62.300 0.005 0.000 0.856 202 V CB 2.151 33.949 31.823 -0.043 0.000 1.001 202 V HN -0.123 nan 8.190 nan 0.000 0.424 203 T N 6.838 121.422 114.554 0.049 0.000 2.963 203 T HA 0.630 4.980 4.350 0.001 0.000 0.328 203 T C -0.609 174.107 174.700 0.027 0.000 1.048 203 T CA -0.270 61.861 62.100 0.051 0.000 1.033 203 T CB 0.554 69.466 68.868 0.074 0.000 1.010 203 T HN 0.344 nan 8.240 nan 0.000 0.469 204 L N 2.537 123.796 121.223 0.060 0.000 2.365 204 L HA 0.948 5.288 4.340 0.001 0.000 0.273 204 L C 0.630 177.578 176.870 0.130 0.000 1.000 204 L CA -0.693 54.226 54.840 0.132 0.000 0.819 204 L CB 2.030 44.246 42.059 0.262 0.000 1.284 204 L HN 0.848 nan 8.230 nan 0.000 0.418 205 G N 1.091 109.982 108.800 0.153 0.000 2.336 205 G HA2 0.494 4.455 3.960 0.001 0.000 0.286 205 G HA3 0.494 4.455 3.960 0.001 0.000 0.286 205 G C -1.157 173.805 174.900 0.104 0.000 1.269 205 G CA 0.051 45.231 45.100 0.133 0.000 0.873 205 G HN 0.830 nan 8.290 nan 0.000 0.494 206 G N -2.381 106.462 108.800 0.070 0.000 3.107 206 G HA2 0.699 4.659 3.960 0.001 0.000 0.232 206 G HA3 0.699 4.659 3.960 0.001 0.000 0.232 206 G C 0.800 175.715 174.900 0.025 0.000 1.339 206 G CA 0.327 45.453 45.100 0.044 0.000 1.033 206 G HN 2.364 nan 8.290 nan 0.000 0.567 207 G N -1.816 107.011 108.800 0.045 0.000 2.325 207 G HA2 0.206 4.167 3.960 0.001 0.000 0.248 207 G HA3 0.206 4.167 3.960 0.001 0.000 0.248 207 G C 0.900 175.875 174.900 0.125 0.000 1.108 207 G CA 0.844 46.000 45.100 0.093 0.000 0.881 207 G HN 1.623 nan 8.290 nan 0.000 0.494 208 A N -0.190 122.646 122.820 0.027 0.000 2.067 208 A HA 0.219 4.539 4.320 0.001 0.000 0.217 208 A C 2.114 179.779 177.584 0.135 0.000 1.156 208 A CA 2.067 54.086 52.037 -0.029 0.000 0.683 208 A CB -0.225 18.686 19.000 -0.148 0.000 0.808 208 A HN 0.661 nan 8.150 nan 0.000 0.455 209 K N -0.392 120.077 120.400 0.115 0.000 2.127 209 K HA -0.183 4.138 4.320 0.001 0.000 0.208 209 K C 1.474 178.153 176.600 0.132 0.000 1.047 209 K CA 1.950 58.300 56.287 0.106 0.000 0.927 209 K CB -0.237 32.316 32.500 0.088 0.000 0.716 209 K HN 0.413 nan 8.250 nan 0.000 0.450 210 T N 0.142 114.804 114.554 0.179 0.000 3.088 210 T HA 0.018 4.368 4.350 0.001 0.000 0.259 210 T C 0.968 175.683 174.700 0.025 0.000 1.122 210 T CA 0.387 62.545 62.100 0.098 0.000 1.095 210 T CB -0.102 68.818 68.868 0.086 0.000 0.930 210 T HN 0.141 nan 8.240 nan 0.000 0.508 211 F N 1.479 121.401 119.950 -0.045 0.000 2.604 211 F HA 0.236 4.763 4.527 0.001 0.000 0.298 211 F C 2.317 178.085 175.800 -0.054 0.000 1.131 211 F CA -0.070 57.886 58.000 -0.074 0.000 1.457 211 F CB -0.376 38.562 39.000 -0.103 0.000 1.095 211 F HN 0.142 nan 8.300 nan 0.000 0.574 212 A N -0.619 122.281 122.820 0.133 0.000 2.067 212 A HA -0.085 4.235 4.320 0.001 0.000 0.219 212 A C 1.308 178.913 177.584 0.036 0.000 1.158 212 A CA 0.532 52.611 52.037 0.070 0.000 0.661 212 A CB -0.498 18.536 19.000 0.056 0.000 0.801 212 A HN 0.279 nan 8.150 nan 0.000 0.452 213 E N 0.225 120.434 120.200 0.014 0.000 2.435 213 E HA 0.282 4.633 4.350 0.001 0.000 0.256 213 E C -0.057 176.538 176.600 -0.009 0.000 1.245 213 E CA 0.776 57.172 56.400 -0.006 0.000 0.989 213 E CB 0.229 29.910 29.700 -0.031 0.000 0.983 213 E HN 0.439 nan 8.360 nan 0.000 0.480 214 T N -2.747 111.805 114.554 -0.004 0.000 2.886 214 T HA 0.584 4.935 4.350 0.001 0.000 0.292 214 T C -0.287 174.418 174.700 0.009 0.000 1.012 214 T CA -1.001 61.104 62.100 0.008 0.000 0.982 214 T CB 1.626 70.508 68.868 0.023 0.000 1.018 214 T HN 0.544 nan 8.240 nan 0.000 0.451 215 A N 2.372 125.206 122.820 0.024 0.000 2.561 215 A HA 0.431 4.751 4.320 0.001 0.000 0.234 215 A C 1.587 179.194 177.584 0.039 0.000 1.055 215 A CA 0.275 52.334 52.037 0.037 0.000 0.756 215 A CB -0.271 18.783 19.000 0.091 0.000 0.986 215 A HN 1.252 nan 8.150 nan 0.000 0.505 216 T N -0.783 113.790 114.554 0.030 0.000 3.067 216 T HA 0.503 4.854 4.350 0.001 0.000 0.257 216 T C 0.710 175.427 174.700 0.029 0.000 1.105 216 T CA 0.928 63.043 62.100 0.024 0.000 1.104 216 T CB -0.174 68.703 68.868 0.015 0.000 0.925 216 T HN 1.713 nan 8.240 nan 0.000 0.498 217 A N -0.212 122.634 122.820 0.043 0.000 3.963 217 A HA 0.801 5.121 4.320 0.001 0.000 0.283 217 A C 0.526 178.150 177.584 0.067 0.000 1.085 217 A CA -0.125 51.936 52.037 0.040 0.000 0.591 217 A CB 0.246 19.263 19.000 0.028 0.000 1.632 217 A HN 1.452 nan 8.150 nan 0.000 0.761 218 G N -0.732 108.101 108.800 0.053 0.000 2.698 218 G HA2 -0.134 3.826 3.960 0.001 0.000 0.233 218 G HA3 -0.134 3.826 3.960 0.001 0.000 0.233 218 G C 0.466 175.367 174.900 0.002 0.000 1.352 218 G CA 0.842 45.986 45.100 0.072 0.000 0.879 218 G HN 1.326 nan 8.290 nan 0.000 0.567 219 E N -0.763 119.379 120.200 -0.096 0.000 2.358 219 E HA 0.023 4.373 4.350 0.001 0.000 0.195 219 E C 0.645 176.967 176.600 -0.464 0.000 1.010 219 E CA 0.649 56.772 56.400 -0.462 0.000 0.856 219 E CB -0.017 29.076 29.700 -1.012 0.000 0.795 219 E HN 0.522 nan 8.360 nan 0.000 0.504 220 W N 3.013 124.315 121.300 0.003 0.000 2.145 220 W HA 0.147 4.808 4.660 0.001 0.000 0.370 220 W C -0.027 176.491 176.519 -0.002 0.000 0.850 220 W CA -0.683 56.664 57.345 0.003 0.000 2.615 220 W CB 0.144 29.608 29.460 0.006 0.000 1.376 220 W HN 0.042 nan 8.180 nan 0.000 0.654 221 Q N -0.102 119.793 119.800 0.158 0.000 2.392 221 Q HA 0.337 4.677 4.340 0.001 0.000 0.262 221 Q C 1.035 177.086 176.000 0.084 0.000 1.003 221 Q CA 1.321 57.184 55.803 0.101 0.000 0.888 221 Q CB 1.425 30.196 28.738 0.055 0.000 1.260 221 Q HN 0.351 nan 8.270 nan 0.000 0.435 222 G N 2.036 110.875 108.800 0.066 0.000 2.498 222 G HA2 -0.242 3.718 3.960 0.001 0.000 0.229 222 G HA3 -0.242 3.718 3.960 0.001 0.000 0.229 222 G C -0.043 174.894 174.900 0.062 0.000 1.156 222 G CA 0.222 45.353 45.100 0.053 0.000 0.680 222 G HN 0.578 nan 8.290 nan 0.000 0.512 223 K N 3.222 123.678 120.400 0.094 0.000 2.379 223 K HA 0.361 4.681 4.320 0.001 0.000 0.284 223 K C 1.185 177.823 176.600 0.064 0.000 1.044 223 K CA 0.643 56.989 56.287 0.099 0.000 0.974 223 K CB 0.643 33.248 32.500 0.175 0.000 0.962 223 K HN 0.717 nan 8.250 nan 0.000 0.474 224 T N 0.089 114.669 114.554 0.044 0.000 2.906 224 T HA 0.032 4.383 4.350 0.001 0.000 0.320 224 T C 1.853 176.557 174.700 0.007 0.000 1.088 224 T CA -0.361 61.755 62.100 0.027 0.000 1.120 224 T CB 0.416 69.305 68.868 0.035 0.000 1.000 224 T HN 0.476 nan 8.240 nan 0.000 0.550 225 L N 0.439 121.649 121.223 -0.022 0.000 2.191 225 L HA -0.059 4.281 4.340 0.001 0.000 0.212 225 L C 3.114 180.004 176.870 0.034 0.000 1.103 225 L CA 1.310 56.096 54.840 -0.089 0.000 0.769 225 L CB -0.667 41.231 42.059 -0.267 0.000 0.908 225 L HN 0.781 nan 8.230 nan 0.000 0.438 226 R N 0.827 121.408 120.500 0.135 0.000 2.066 226 R HA -0.175 4.166 4.340 0.001 0.000 0.232 226 R C 2.066 178.377 176.300 0.019 0.000 1.131 226 R CA 1.561 57.733 56.100 0.119 0.000 0.955 226 R CB -0.065 30.270 30.300 0.059 0.000 0.851 226 R HN 0.394 nan 8.270 nan 0.000 0.432 227 E N 0.265 120.475 120.200 0.017 0.000 2.085 227 E HA -0.275 4.076 4.350 0.001 0.000 0.194 227 E C 2.076 178.673 176.600 -0.006 0.000 0.994 227 E CA 1.449 57.861 56.400 0.021 0.000 0.801 227 E CB -0.076 29.653 29.700 0.047 0.000 0.743 227 E HN 0.442 nan 8.360 nan 0.000 0.453 228 Q N 0.435 120.184 119.800 -0.085 0.000 2.124 228 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 228 Q C 2.098 177.924 176.000 -0.291 0.000 0.977 228 Q CA 1.307 56.922 55.803 -0.313 0.000 0.850 228 Q CB -0.080 28.331 28.738 -0.545 0.000 0.901 228 Q HN 0.231 nan 8.270 nan 0.000 0.429 229 A N 0.724 123.429 122.820 -0.190 0.000 1.877 229 A HA -0.263 4.057 4.320 0.001 0.000 0.216 229 A C 1.966 179.588 177.584 0.063 0.000 1.186 229 A CA 1.725 53.652 52.037 -0.184 0.000 0.620 229 A CB -0.607 18.255 19.000 -0.229 0.000 0.822 229 A HN 0.539 nan 8.150 nan 0.000 0.443 230 Q N -0.685 119.136 119.800 0.034 0.000 2.020 230 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 230 Q C 2.401 178.459 176.000 0.096 0.000 0.982 230 Q CA 1.581 57.427 55.803 0.071 0.000 0.838 230 Q CB -0.439 28.323 28.738 0.039 0.000 0.899 230 Q HN 0.669 nan 8.270 nan 0.000 0.423 231 A N 1.081 123.957 122.820 0.092 0.000 2.024 231 A HA -0.193 4.127 4.320 0.001 0.000 0.220 231 A C 1.682 179.387 177.584 0.202 0.000 1.164 231 A CA 1.330 53.466 52.037 0.164 0.000 0.643 231 A CB -0.319 18.837 19.000 0.261 0.000 0.806 231 A HN 0.227 nan 8.150 nan 0.000 0.451 232 R N -1.526 119.066 120.500 0.154 0.000 2.359 232 R HA 0.287 4.628 4.340 0.001 0.000 0.231 232 R C 0.954 177.336 176.300 0.135 0.000 0.913 232 R CA 0.468 56.680 56.100 0.186 0.000 1.075 232 R CB 0.078 30.452 30.300 0.124 0.000 1.087 232 R HN 0.642 nan 8.270 nan 0.000 0.515 233 G N 0.526 109.392 108.800 0.111 0.000 2.140 233 G HA2 -0.278 3.682 3.960 0.001 0.000 0.211 233 G HA3 -0.278 3.682 3.960 0.001 0.000 0.211 233 G C -0.455 174.407 174.900 -0.062 0.000 1.013 233 G CA -0.539 44.566 45.100 0.009 0.000 0.705 233 G HN 0.245 nan 8.290 nan 0.000 0.508 234 Y N 0.479 120.766 120.300 -0.023 0.000 2.299 234 Y HA 0.527 5.078 4.550 0.001 0.000 0.326 234 Y C 1.121 176.994 175.900 -0.045 0.000 1.164 234 Y CA -0.107 57.970 58.100 -0.037 0.000 1.234 234 Y CB 1.055 39.485 38.460 -0.050 0.000 1.219 234 Y HN 0.216 nan 8.280 nan 0.000 0.497 235 Q N 3.420 123.275 119.800 0.091 0.000 2.390 235 Q HA 0.347 4.688 4.340 0.001 0.000 0.249 235 Q C -1.459 174.550 176.000 0.016 0.000 0.996 235 Q CA -0.647 55.174 55.803 0.030 0.000 0.899 235 Q CB 0.812 29.550 28.738 -0.000 0.000 1.216 235 Q HN 0.437 nan 8.270 nan 0.000 0.465 236 L N 3.180 124.387 121.223 -0.027 0.000 2.289 236 L HA 0.453 4.794 4.340 0.001 0.000 0.285 236 L C -0.407 176.388 176.870 -0.125 0.000 1.049 236 L CA -0.557 54.212 54.840 -0.117 0.000 0.804 236 L CB 1.587 43.553 42.059 -0.154 0.000 1.195 236 L HN 0.330 nan 8.230 nan 0.000 0.428 237 V N -0.471 119.323 119.914 -0.201 0.000 2.638 237 V HA 0.581 4.701 4.120 0.001 0.000 0.306 237 V C 0.127 176.047 176.094 -0.292 0.000 1.052 237 V CA -0.333 61.878 62.300 -0.147 0.000 0.885 237 V CB 1.652 33.459 31.823 -0.026 0.000 0.999 237 V HN 0.656 nan 8.190 nan 0.000 0.424 238 S N 2.406 118.045 115.700 -0.101 0.000 2.524 238 S HA 0.254 4.724 4.470 0.001 0.000 0.215 238 S C 0.097 174.863 174.600 0.276 0.000 0.986 238 S CA 0.551 58.713 58.200 -0.063 0.000 0.911 238 S CB -0.176 62.996 63.200 -0.047 0.000 0.805 238 S HN 1.092 nan 8.310 nan 0.000 0.501 239 D N -1.161 119.484 120.400 0.409 0.000 2.759 239 D HA 0.652 5.293 4.640 0.001 0.000 0.321 239 D C 0.770 177.191 176.300 0.203 0.000 1.267 239 D CA -0.323 53.876 54.000 0.332 0.000 0.933 239 D CB 0.276 41.155 40.800 0.132 0.000 1.431 239 D HN -0.135 nan 8.370 nan 0.000 0.504 240 A N 0.131 122.933 122.820 -0.031 0.000 1.892 240 A HA 0.038 4.359 4.320 0.001 0.000 0.218 240 A C 2.192 179.768 177.584 -0.013 0.000 1.188 240 A CA 3.043 55.020 52.037 -0.101 0.000 0.631 240 A CB -1.556 17.383 19.000 -0.101 0.000 0.822 240 A HN 0.745 nan 8.150 nan 0.000 0.447 241 A N -0.526 122.303 122.820 0.016 0.000 1.851 241 A HA -0.126 4.195 4.320 0.001 0.000 0.216 241 A C 2.476 180.085 177.584 0.042 0.000 1.195 241 A CA 2.354 54.405 52.037 0.023 0.000 0.622 241 A CB -1.136 17.877 19.000 0.022 0.000 0.831 241 A HN 0.503 nan 8.150 nan 0.000 0.444 242 S N -0.439 115.305 115.700 0.073 0.000 2.359 242 S HA -0.182 4.289 4.470 0.001 0.000 0.224 242 S C 1.892 176.546 174.600 0.091 0.000 1.035 242 S CA 1.560 59.805 58.200 0.076 0.000 1.018 242 S CB -0.562 62.689 63.200 0.085 0.000 0.876 242 S HN 0.503 nan 8.310 nan 0.000 0.448 243 L N 2.871 124.187 121.223 0.156 0.000 2.012 243 L HA -0.095 4.245 4.340 0.001 0.000 0.210 243 L C 1.852 178.755 176.870 0.055 0.000 1.073 243 L CA 2.044 56.974 54.840 0.149 0.000 0.748 243 L CB -1.141 41.036 42.059 0.198 0.000 0.891 243 L HN 0.305 nan 8.230 nan 0.000 0.431 244 N N -1.376 117.340 118.700 0.025 0.000 2.364 244 N HA -0.157 4.583 4.740 0.001 0.000 0.183 244 N C 1.419 176.933 175.510 0.007 0.000 1.022 244 N CA 1.324 54.376 53.050 0.003 0.000 0.883 244 N CB -0.043 38.440 38.487 -0.007 0.000 0.965 244 N HN 0.421 nan 8.380 nan 0.000 0.438 245 S N -0.916 114.793 115.700 0.016 0.000 2.524 245 S HA 0.145 4.615 4.470 0.001 0.000 0.216 245 S C 0.205 174.810 174.600 0.008 0.000 0.987 245 S CA -0.265 57.942 58.200 0.011 0.000 0.909 245 S CB 0.474 63.682 63.200 0.014 0.000 0.781 245 S HN 0.069 nan 8.310 nan 0.000 0.521 246 V N 3.939 123.860 119.914 0.012 0.000 2.446 246 V HA 0.064 4.185 4.120 0.001 0.000 0.276 246 V C 1.550 177.640 176.094 -0.006 0.000 1.030 246 V CA 0.599 62.902 62.300 0.004 0.000 1.033 246 V CB 0.549 32.377 31.823 0.009 0.000 0.993 246 V HN 0.573 nan 8.190 nan 0.000 0.477 247 T N 1.223 115.771 114.554 -0.009 0.000 3.044 247 T HA 0.212 4.563 4.350 0.001 0.000 0.250 247 T C 0.300 174.989 174.700 -0.018 0.000 1.081 247 T CA 0.201 62.293 62.100 -0.012 0.000 1.040 247 T CB -0.013 68.851 68.868 -0.008 0.000 0.962 247 T HN 0.820 nan 8.240 nan 0.000 0.506 248 E N -0.175 120.012 120.200 -0.022 0.000 2.380 248 E HA 0.661 5.011 4.350 0.001 0.000 0.281 248 E C -1.776 174.804 176.600 -0.034 0.000 0.999 248 E CA -1.532 54.850 56.400 -0.028 0.000 0.800 248 E CB 1.449 31.135 29.700 -0.023 0.000 1.228 248 E HN 0.185 nan 8.360 nan 0.000 0.436 249 A N 2.427 125.221 122.820 -0.043 0.000 2.459 249 A HA 0.775 5.096 4.320 0.001 0.000 0.296 249 A C -1.327 176.226 177.584 -0.053 0.000 1.039 249 A CA -0.526 51.481 52.037 -0.050 0.000 0.698 249 A CB 1.120 20.091 19.000 -0.049 0.000 1.261 249 A HN 0.845 nan 8.150 nan 0.000 0.405 250 N N 0.653 119.316 118.700 -0.061 0.000 3.378 250 N HA 0.180 4.920 4.740 0.001 0.000 0.294 250 N C 0.167 175.632 175.510 -0.076 0.000 1.544 250 N CA -0.595 52.424 53.050 -0.052 0.000 0.872 250 N CB 0.166 38.632 38.487 -0.034 0.000 1.670 250 N HN 0.199 nan 8.380 nan 0.000 0.551 251 Q N -0.579 119.187 119.800 -0.057 0.000 2.170 251 Q HA -0.067 4.274 4.340 0.001 0.000 0.203 251 Q C 0.988 176.931 176.000 -0.096 0.000 0.976 251 Q CA 1.825 57.584 55.803 -0.073 0.000 0.858 251 Q CB -0.263 28.454 28.738 -0.035 0.000 0.907 251 Q HN 0.599 nan 8.270 nan 0.000 0.433 252 Q N 0.165 119.921 119.800 -0.072 0.000 2.163 252 Q HA 0.030 4.371 4.340 0.001 0.000 0.198 252 Q C 0.275 176.220 176.000 -0.093 0.000 0.954 252 Q CA 0.968 56.731 55.803 -0.066 0.000 0.851 252 Q CB 0.469 29.184 28.738 -0.038 0.000 0.928 252 Q HN 0.056 nan 8.270 nan 0.000 0.459 253 K N 1.166 121.506 120.400 -0.100 0.000 3.022 253 K HA 0.312 4.632 4.320 0.001 0.000 0.178 253 K C -2.692 173.823 176.600 -0.142 0.000 1.089 253 K CA -1.455 54.768 56.287 -0.106 0.000 0.916 253 K CB 1.546 34.009 32.500 -0.062 0.000 1.159 253 K HN 0.104 nan 8.250 nan 0.000 0.592 254 P HA 0.093 nan 4.420 nan 0.000 0.275 254 P C -0.364 176.848 177.300 -0.146 0.000 1.227 254 P CA -0.634 62.315 63.100 -0.253 0.000 0.781 254 P CB 1.029 32.436 31.700 -0.488 0.000 0.906 255 L N 4.781 125.984 121.223 -0.034 0.000 2.307 255 L HA 0.600 4.940 4.340 0.001 0.000 0.282 255 L C -0.965 175.954 176.870 0.081 0.000 1.051 255 L CA -0.634 54.220 54.840 0.023 0.000 0.804 255 L CB 1.069 43.128 42.059 0.001 0.000 1.197 255 L HN 0.258 nan 8.230 nan 0.000 0.431 256 L N 4.845 126.104 121.223 0.060 0.000 2.446 256 L HA 0.820 5.160 4.340 0.001 0.000 0.268 256 L C -0.530 176.207 176.870 -0.222 0.000 0.975 256 L CA 0.036 54.860 54.840 -0.028 0.000 0.848 256 L CB 1.571 43.631 42.059 0.002 0.000 1.225 256 L HN 0.672 nan 8.230 nan 0.000 0.410 257 G N 5.427 114.034 108.800 -0.322 0.000 2.370 257 G HA2 0.582 4.542 3.960 0.001 0.000 0.317 257 G HA3 0.582 4.542 3.960 0.001 0.000 0.317 257 G C -1.015 173.318 174.900 -0.944 0.000 1.162 257 G CA -0.484 44.140 45.100 -0.794 0.000 0.922 257 G HN 0.574 nan 8.290 nan 0.000 0.454 258 L N 3.162 123.823 121.223 -0.937 0.000 2.371 258 L HA 0.308 4.648 4.340 0.001 0.000 0.262 258 L C -0.224 176.337 176.870 -0.516 0.000 1.054 258 L CA -0.619 53.854 54.840 -0.611 0.000 0.924 258 L CB 0.602 42.333 42.059 -0.546 0.000 1.295 258 L HN 0.543 nan 8.230 nan 0.000 0.441 259 F N 1.648 121.553 119.950 -0.075 0.000 2.663 259 F HA 0.488 5.016 4.527 0.001 0.000 0.299 259 F C 1.026 176.806 175.800 -0.034 0.000 1.143 259 F CA -0.351 57.618 58.000 -0.050 0.000 1.387 259 F CB 0.114 39.091 39.000 -0.038 0.000 1.019 259 F HN 0.404 nan 8.300 nan 0.000 0.523 260 A N -0.745 122.119 122.820 0.072 0.000 2.590 260 A HA 0.342 4.663 4.320 0.001 0.000 0.296 260 A C 0.170 177.771 177.584 0.028 0.000 1.050 260 A CA -0.697 51.377 52.037 0.062 0.000 0.697 260 A CB 0.420 19.469 19.000 0.081 0.000 1.277 260 A HN -0.045 nan 8.150 nan 0.000 0.411 261 D N 0.729 121.148 120.400 0.031 0.000 2.092 261 D HA 0.043 4.684 4.640 0.001 0.000 0.193 261 D C 1.457 177.788 176.300 0.052 0.000 0.994 261 D CA 2.845 56.864 54.000 0.032 0.000 0.828 261 D CB 0.160 40.978 40.800 0.031 0.000 0.963 261 D HN 0.759 nan 8.370 nan 0.000 0.450 262 G N -0.785 108.049 108.800 0.057 0.000 3.069 262 G HA2 0.124 4.084 3.960 0.001 0.000 0.205 262 G HA3 0.124 4.084 3.960 0.001 0.000 0.205 262 G C 0.048 174.992 174.900 0.074 0.000 1.771 262 G CA -0.310 44.836 45.100 0.076 0.000 0.739 262 G HN 0.024 nan 8.290 nan 0.000 0.784 263 N N 0.697 119.439 118.700 0.069 0.000 2.530 263 N HA 0.320 5.060 4.740 0.001 0.000 0.277 263 N C -0.101 175.443 175.510 0.056 0.000 1.168 263 N CA -0.009 53.080 53.050 0.064 0.000 0.979 263 N CB 1.208 39.730 38.487 0.059 0.000 1.141 263 N HN 0.211 nan 8.380 nan 0.000 0.459 264 M N 2.271 121.905 119.600 0.056 0.000 2.228 264 M HA 0.174 4.654 4.480 0.001 0.000 0.351 264 M C -1.890 174.431 176.300 0.035 0.000 1.233 264 M CA -1.192 54.139 55.300 0.051 0.000 1.129 264 M CB 0.348 32.980 32.600 0.052 0.000 1.604 264 M HN 0.233 nan 8.290 nan 0.000 0.457 265 P HA 0.024 nan 4.420 nan 0.000 0.264 265 P C -0.858 176.457 177.300 0.025 0.000 1.183 265 P CA -0.421 62.697 63.100 0.030 0.000 0.763 265 P CB -0.020 31.699 31.700 0.031 0.000 0.807 266 V N 1.825 121.755 119.914 0.027 0.000 2.811 266 V HA 0.217 4.338 4.120 0.001 0.000 0.302 266 V C 1.526 177.651 176.094 0.052 0.000 1.063 266 V CA -0.163 62.149 62.300 0.020 0.000 1.088 266 V CB 0.578 32.411 31.823 0.017 0.000 0.982 266 V HN 0.422 nan 8.190 nan 0.000 0.485 267 R N 1.823 122.352 120.500 0.047 0.000 2.064 267 R HA 0.070 4.411 4.340 0.001 0.000 0.228 267 R C 0.135 176.644 176.300 0.348 0.000 1.144 267 R CA 1.548 57.739 56.100 0.151 0.000 0.932 267 R CB -0.030 30.334 30.300 0.108 0.000 0.833 267 R HN 0.749 nan 8.270 nan 0.000 0.429 268 W N 0.899 122.200 121.300 0.002 0.000 2.449 268 W HA 0.446 5.107 4.660 0.001 0.000 0.331 268 W C -0.236 176.278 176.519 -0.008 0.000 1.119 268 W CA -1.165 56.181 57.345 0.001 0.000 1.240 268 W CB 0.107 29.565 29.460 -0.004 0.000 1.251 268 W HN 0.039 nan 8.180 nan 0.000 0.576 269 L N 2.104 123.457 121.223 0.216 0.000 2.334 269 L HA 0.974 5.315 4.340 0.001 0.000 0.273 269 L C 0.128 177.054 176.870 0.093 0.000 1.013 269 L CA -0.235 54.676 54.840 0.118 0.000 0.816 269 L CB 1.703 43.806 42.059 0.072 0.000 1.278 269 L HN 0.538 nan 8.230 nan 0.000 0.431 270 G N 3.178 112.018 108.800 0.067 0.000 2.579 270 G HA2 0.431 4.392 3.960 0.001 0.000 0.292 270 G HA3 0.431 4.392 3.960 0.001 0.000 0.292 270 G C -3.243 171.678 174.900 0.035 0.000 1.484 270 G CA -0.747 44.382 45.100 0.049 0.000 0.813 270 G HN 0.434 nan 8.290 nan 0.000 0.515 271 P HA 0.246 nan 4.420 nan 0.000 0.274 271 P C -0.583 176.729 177.300 0.020 0.000 1.260 271 P CA -0.289 62.826 63.100 0.026 0.000 0.793 271 P CB 1.118 32.836 31.700 0.030 0.000 1.048 272 K N 0.138 120.544 120.400 0.010 0.000 2.118 272 K HA 0.505 4.825 4.320 0.001 0.000 0.267 272 K C -0.155 176.454 176.600 0.015 0.000 0.991 272 K CA -0.734 55.547 56.287 -0.011 0.000 0.916 272 K CB 0.754 33.240 32.500 -0.024 0.000 1.041 272 K HN 0.509 nan 8.250 nan 0.000 0.455 273 A N 2.411 125.238 122.820 0.012 0.000 2.531 273 A HA 0.225 4.546 4.320 0.001 0.000 0.236 273 A C -0.309 177.322 177.584 0.079 0.000 1.062 273 A CA 0.170 52.259 52.037 0.087 0.000 0.760 273 A CB -0.091 19.021 19.000 0.187 0.000 0.995 273 A HN 0.823 nan 8.150 nan 0.000 0.501 274 T N -0.220 114.396 114.554 0.104 0.000 2.907 274 T HA 0.459 4.809 4.350 0.001 0.000 0.290 274 T C -0.620 174.167 174.700 0.145 0.000 1.066 274 T CA -0.477 61.691 62.100 0.113 0.000 1.012 274 T CB 0.788 69.716 68.868 0.100 0.000 1.184 274 T HN 0.521 nan 8.240 nan 0.000 0.522 275 Y N 2.050 122.358 120.300 0.014 0.000 2.605 275 Y HA 0.111 4.662 4.550 0.001 0.000 0.336 275 Y C 1.263 177.180 175.900 0.028 0.000 1.111 275 Y CA 0.452 58.521 58.100 -0.052 0.000 1.422 275 Y CB -1.060 37.314 38.460 -0.144 0.000 1.193 275 Y HN 0.958 nan 8.280 nan 0.000 0.526 276 H N 1.751 120.588 119.070 -0.389 0.000 2.992 276 H HA -0.215 4.342 4.556 0.001 0.000 0.266 276 H C 1.512 176.779 175.328 -0.101 0.000 1.200 276 H CA 0.065 55.930 56.048 -0.306 0.000 1.135 276 H CB -1.142 28.380 29.762 -0.400 0.000 1.282 276 H HN 0.935 nan 8.280 nan 0.000 0.351 277 G N 1.196 110.041 108.800 0.076 0.000 2.470 277 G HA2 -0.290 3.670 3.960 0.001 0.000 0.220 277 G HA3 -0.290 3.670 3.960 0.001 0.000 0.220 277 G C 1.587 176.516 174.900 0.049 0.000 1.121 277 G CA 0.870 46.011 45.100 0.069 0.000 0.766 277 G HN 0.707 nan 8.290 nan 0.000 0.553 278 N N 1.010 119.732 118.700 0.037 0.000 2.515 278 N HA -0.007 4.733 4.740 0.001 0.000 0.185 278 N C 1.828 177.336 175.510 -0.004 0.000 1.109 278 N CA 1.171 54.234 53.050 0.021 0.000 0.903 278 N CB -0.122 38.376 38.487 0.018 0.000 0.969 278 N HN 0.602 nan 8.380 nan 0.000 0.450 279 I N -3.363 117.195 120.570 -0.019 0.000 4.197 279 I HA 0.259 4.429 4.170 0.001 0.000 0.307 279 I C 0.473 176.576 176.117 -0.023 0.000 1.236 279 I CA 0.022 61.294 61.300 -0.045 0.000 1.321 279 I CB 0.083 38.011 38.000 -0.119 0.000 1.309 279 I HN -0.288 nan 8.210 nan 0.000 0.450 280 D N 1.791 122.192 120.400 0.001 0.000 2.271 280 D HA 0.099 4.740 4.640 0.001 0.000 0.206 280 D C 0.665 176.982 176.300 0.028 0.000 0.967 280 D CA 0.899 54.912 54.000 0.021 0.000 0.867 280 D CB 0.248 41.079 40.800 0.052 0.000 0.960 280 D HN 0.203 nan 8.370 nan 0.000 0.509 281 K N 1.263 121.683 120.400 0.033 0.000 2.095 281 K HA 0.407 4.727 4.320 0.001 0.000 0.252 281 K C -2.187 174.431 176.600 0.029 0.000 0.977 281 K CA -1.666 54.642 56.287 0.035 0.000 0.900 281 K CB 1.076 33.602 32.500 0.044 0.000 1.060 281 K HN 0.006 nan 8.250 nan 0.000 0.449 282 P HA 0.238 nan 4.420 nan 0.000 0.280 282 P C -0.911 176.410 177.300 0.035 0.000 1.272 282 P CA -0.608 62.508 63.100 0.027 0.000 0.819 282 P CB 0.613 32.328 31.700 0.024 0.000 1.122 283 A N 0.731 123.573 122.820 0.036 0.000 2.511 283 A HA 0.332 4.653 4.320 0.001 0.000 0.242 283 A C 0.198 177.816 177.584 0.058 0.000 1.069 283 A CA -0.094 51.972 52.037 0.049 0.000 0.763 283 A CB -0.421 18.606 19.000 0.046 0.000 1.001 283 A HN 0.328 nan 8.150 nan 0.000 0.498 284 V N 2.167 122.127 119.914 0.077 0.000 2.630 284 V HA 0.608 4.729 4.120 0.001 0.000 0.305 284 V C 0.246 176.415 176.094 0.126 0.000 1.046 284 V CA -0.310 62.039 62.300 0.081 0.000 0.934 284 V CB 1.928 33.792 31.823 0.069 0.000 1.003 284 V HN 0.937 nan 8.190 nan 0.000 0.451 285 T N 2.283 116.900 114.554 0.105 0.000 2.890 285 T HA 0.312 4.662 4.350 0.001 0.000 0.295 285 T C -0.254 174.495 174.700 0.081 0.000 0.993 285 T CA -0.387 61.801 62.100 0.148 0.000 0.979 285 T CB 0.842 69.756 68.868 0.076 0.000 0.967 285 T HN 0.750 nan 8.240 nan 0.000 0.441 286 c N 3.590 122.246 118.600 0.093 0.000 2.689 286 c HA 0.657 5.228 4.570 0.001 0.000 0.409 286 c C 1.382 175.377 174.090 -0.157 0.000 1.293 286 c CA -0.581 55.729 56.329 -0.032 0.000 2.136 286 c CB -0.644 41.848 42.510 -0.030 0.000 2.719 286 c HN 1.026 nan 8.230 nan 0.000 0.644 287 T N -0.721 113.748 114.554 -0.143 0.000 2.883 287 T HA 0.561 4.912 4.350 0.001 0.000 0.296 287 T C -3.246 171.367 174.700 -0.145 0.000 1.117 287 T CA -1.766 60.232 62.100 -0.169 0.000 1.006 287 T CB 1.390 70.213 68.868 -0.076 0.000 1.191 287 T HN 0.315 nan 8.240 nan 0.000 0.508 288 P HA 0.241 nan 4.420 nan 0.000 0.268 288 P C -0.583 176.732 177.300 0.026 0.000 1.204 288 P CA -0.239 62.841 63.100 -0.034 0.000 0.768 288 P CB 0.220 31.899 31.700 -0.035 0.000 0.842 289 N N 4.705 123.453 118.700 0.080 0.000 2.452 289 N HA 0.074 4.815 4.740 0.001 0.000 0.266 289 N C -1.584 173.953 175.510 0.045 0.000 1.175 289 N CA -1.560 51.531 53.050 0.069 0.000 0.945 289 N CB 0.151 38.692 38.487 0.091 0.000 1.063 289 N HN 0.198 nan 8.380 nan 0.000 0.472 290 P HA -0.090 nan 4.420 nan 0.000 0.218 290 P C 0.702 178.016 177.300 0.023 0.000 1.149 290 P CA 1.033 64.147 63.100 0.022 0.000 0.817 290 P CB 0.373 32.084 31.700 0.018 0.000 0.785 291 Q N -0.967 118.850 119.800 0.028 0.000 2.123 291 Q HA -0.023 4.318 4.340 0.001 0.000 0.199 291 Q C 1.109 177.125 176.000 0.027 0.000 0.966 291 Q CA 0.707 56.526 55.803 0.026 0.000 0.845 291 Q CB -0.566 28.188 28.738 0.027 0.000 0.907 291 Q HN 0.141 nan 8.270 nan 0.000 0.439 292 R N 2.011 122.530 120.500 0.032 0.000 2.446 292 R HA -0.011 4.329 4.340 0.001 0.000 0.314 292 R C -0.435 175.878 176.300 0.021 0.000 1.003 292 R CA -0.005 56.112 56.100 0.029 0.000 1.018 292 R CB 0.053 30.375 30.300 0.037 0.000 0.945 292 R HN 0.168 nan 8.270 nan 0.000 0.419 293 N N 2.285 120.995 118.700 0.016 0.000 2.513 293 N HA -0.030 4.710 4.740 0.001 0.000 0.274 293 N C -0.010 175.501 175.510 0.001 0.000 1.189 293 N CA -0.208 52.849 53.050 0.011 0.000 0.975 293 N CB 1.074 39.570 38.487 0.015 0.000 1.157 293 N HN 0.549 nan 8.380 nan 0.000 0.465 294 D N 0.100 120.500 120.400 0.000 0.000 2.309 294 D HA -0.106 4.534 4.640 0.001 0.000 0.212 294 D C 1.366 177.654 176.300 -0.019 0.000 0.968 294 D CA 1.007 55.002 54.000 -0.008 0.000 0.882 294 D CB 0.073 40.871 40.800 -0.004 0.000 0.918 294 D HN 0.540 nan 8.370 nan 0.000 0.503 295 S N -0.637 115.056 115.700 -0.012 0.000 2.548 295 S HA 0.073 4.543 4.470 0.001 0.000 0.215 295 S C 0.844 175.423 174.600 -0.035 0.000 0.976 295 S CA -0.379 57.814 58.200 -0.013 0.000 0.908 295 S CB 0.287 63.495 63.200 0.014 0.000 0.781 295 S HN -0.092 nan 8.310 nan 0.000 0.519 296 V N 4.220 124.107 119.914 -0.045 0.000 2.368 296 V HA 0.356 4.477 4.120 0.001 0.000 0.266 296 V C -2.456 173.528 176.094 -0.183 0.000 1.045 296 V CA -2.019 60.228 62.300 -0.087 0.000 0.899 296 V CB 0.406 32.215 31.823 -0.024 0.000 1.006 296 V HN 0.185 nan 8.190 nan 0.000 0.470 297 P HA 0.066 nan 4.420 nan 0.000 0.264 297 P C 0.480 177.629 177.300 -0.252 0.000 1.183 297 P CA 0.302 63.165 63.100 -0.394 0.000 0.763 297 P CB 0.241 31.481 31.700 -0.767 0.000 0.807 298 T N 0.656 115.112 114.554 -0.163 0.000 2.788 298 T HA 0.088 4.439 4.350 0.001 0.000 0.287 298 T C 1.084 175.720 174.700 -0.107 0.000 1.007 298 T CA -0.632 61.406 62.100 -0.103 0.000 1.005 298 T CB 0.339 69.168 68.868 -0.065 0.000 1.012 298 T HN 0.122 nan 8.240 nan 0.000 0.530 299 L N 1.594 122.769 121.223 -0.079 0.000 2.017 299 L HA 0.098 4.439 4.340 0.001 0.000 0.208 299 L C 2.832 179.657 176.870 -0.075 0.000 1.073 299 L CA 2.397 57.192 54.840 -0.074 0.000 0.745 299 L CB -1.705 40.312 42.059 -0.069 0.000 0.894 299 L HN 0.943 nan 8.230 nan 0.000 0.432 300 A N -1.285 121.494 122.820 -0.067 0.000 1.986 300 A HA -0.284 4.036 4.320 0.001 0.000 0.220 300 A C 2.180 179.726 177.584 -0.064 0.000 1.171 300 A CA 1.988 53.990 52.037 -0.058 0.000 0.640 300 A CB -0.557 18.418 19.000 -0.041 0.000 0.811 300 A HN 0.697 nan 8.150 nan 0.000 0.451 301 Q N -1.101 118.651 119.800 -0.080 0.000 2.079 301 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 301 Q C 2.265 178.202 176.000 -0.105 0.000 0.974 301 Q CA 1.549 57.295 55.803 -0.094 0.000 0.840 301 Q CB -0.257 28.407 28.738 -0.123 0.000 0.898 301 Q HN 0.727 nan 8.270 nan 0.000 0.430 302 M N -0.152 119.376 119.600 -0.120 0.000 2.117 302 M HA -0.133 4.348 4.480 0.001 0.000 0.262 302 M C 2.150 178.407 176.300 -0.072 0.000 1.065 302 M CA 1.321 56.566 55.300 -0.092 0.000 1.114 302 M CB -0.531 32.026 32.600 -0.072 0.000 1.361 302 M HN 0.144 nan 8.290 nan 0.000 0.408 303 T N 0.070 114.578 114.554 -0.077 0.000 2.833 303 T HA -0.167 4.183 4.350 0.001 0.000 0.269 303 T C 1.305 175.945 174.700 -0.099 0.000 1.054 303 T CA 1.758 63.808 62.100 -0.084 0.000 1.135 303 T CB -0.318 68.506 68.868 -0.073 0.000 0.869 303 T HN 0.369 nan 8.240 nan 0.000 0.466 304 D N 0.637 120.988 120.400 -0.083 0.000 2.106 304 D HA -0.040 4.601 4.640 0.001 0.000 0.203 304 D C 2.170 178.413 176.300 -0.095 0.000 0.977 304 D CA 0.934 54.889 54.000 -0.076 0.000 0.844 304 D CB -0.119 40.650 40.800 -0.051 0.000 1.002 304 D HN 0.034 nan 8.370 nan 0.000 0.461 305 K N 0.546 120.896 120.400 -0.083 0.000 2.103 305 K HA -0.039 4.281 4.320 0.001 0.000 0.207 305 K C 1.784 178.313 176.600 -0.118 0.000 1.048 305 K CA 1.577 57.817 56.287 -0.079 0.000 0.930 305 K CB -0.755 31.716 32.500 -0.049 0.000 0.716 305 K HN 0.133 nan 8.250 nan 0.000 0.444 306 A N 0.567 123.305 122.820 -0.137 0.000 1.877 306 A HA -0.098 4.223 4.320 0.001 0.000 0.216 306 A C 2.274 179.648 177.584 -0.350 0.000 1.186 306 A CA 1.690 53.610 52.037 -0.196 0.000 0.620 306 A CB -0.647 18.255 19.000 -0.165 0.000 0.822 306 A HN 0.344 nan 8.150 nan 0.000 0.443 307 I N -0.426 119.917 120.570 -0.379 0.000 2.335 307 I HA -0.267 3.904 4.170 0.001 0.000 0.251 307 I C 2.579 178.385 176.117 -0.518 0.000 1.129 307 I CA 1.774 62.709 61.300 -0.607 0.000 1.402 307 I CB -0.292 37.417 38.000 -0.485 0.000 1.069 307 I HN 0.598 nan 8.210 nan 0.000 0.424 308 E N 1.582 121.615 120.200 -0.280 0.000 2.015 308 E HA -0.207 4.144 4.350 0.001 0.000 0.191 308 E C 2.387 178.883 176.600 -0.173 0.000 0.991 308 E CA 1.234 57.536 56.400 -0.162 0.000 0.802 308 E CB -0.048 29.596 29.700 -0.093 0.000 0.759 308 E HN 0.434 nan 8.360 nan 0.000 0.447 309 L N 0.772 121.886 121.223 -0.181 0.000 2.017 309 L HA -0.182 4.158 4.340 0.001 0.000 0.208 309 L C 2.744 179.488 176.870 -0.210 0.000 1.073 309 L CA 0.873 55.622 54.840 -0.151 0.000 0.745 309 L CB -0.461 41.523 42.059 -0.125 0.000 0.894 309 L HN 0.233 nan 8.230 nan 0.000 0.432 310 L N -0.148 120.850 121.223 -0.375 0.000 2.083 310 L HA -0.159 4.181 4.340 0.001 0.000 0.209 310 L C 2.651 179.201 176.870 -0.533 0.000 1.083 310 L CA 1.403 55.923 54.840 -0.533 0.000 0.752 310 L CB -0.677 40.823 42.059 -0.932 0.000 0.899 310 L HN 0.399 nan 8.230 nan 0.000 0.433 311 S N -0.769 114.610 115.700 -0.534 0.000 2.603 311 S HA -0.080 4.391 4.470 0.001 0.000 0.229 311 S C 1.554 176.193 174.600 0.065 0.000 0.972 311 S CA 0.383 58.529 58.200 -0.089 0.000 0.935 311 S CB -0.261 62.972 63.200 0.055 0.000 0.769 311 S HN 0.428 nan 8.310 nan 0.000 0.536 312 K N 1.260 121.657 120.400 -0.005 0.000 2.305 312 K HA 0.123 4.443 4.320 0.001 0.000 0.199 312 K C 0.643 177.278 176.600 0.058 0.000 1.047 312 K CA 0.109 56.412 56.287 0.028 0.000 0.976 312 K CB -0.155 32.343 32.500 -0.004 0.000 0.765 312 K HN 0.288 nan 8.250 nan 0.000 0.474 313 N N 2.322 121.067 118.700 0.075 0.000 2.452 313 N HA -0.078 4.662 4.740 0.001 0.000 0.266 313 N C 0.576 176.158 175.510 0.119 0.000 1.209 313 N CA 0.459 53.567 53.050 0.096 0.000 0.929 313 N CB 0.806 39.363 38.487 0.118 0.000 1.063 313 N HN 0.070 nan 8.380 nan 0.000 0.472 314 E N 3.671 123.920 120.200 0.083 0.000 2.118 314 E HA -0.186 4.164 4.350 0.001 0.000 0.195 314 E C 0.927 177.572 176.600 0.075 0.000 0.992 314 E CA 1.275 57.720 56.400 0.074 0.000 0.804 314 E CB 0.172 29.902 29.700 0.051 0.000 0.741 314 E HN 0.665 nan 8.360 nan 0.000 0.458 315 K N -0.108 120.336 120.400 0.073 0.000 2.217 315 K HA 0.040 4.361 4.320 0.001 0.000 0.202 315 K C 1.153 177.795 176.600 0.070 0.000 1.051 315 K CA 0.773 57.097 56.287 0.061 0.000 0.952 315 K CB 0.245 32.777 32.500 0.054 0.000 0.736 315 K HN 0.157 nan 8.250 nan 0.000 0.453 316 G N 0.828 109.699 108.800 0.118 0.000 2.343 316 G HA2 0.065 4.025 3.960 0.001 0.000 0.562 316 G HA3 0.065 4.025 3.960 0.001 0.000 0.562 316 G C -1.346 173.687 174.900 0.221 0.000 1.269 316 G CA -0.669 44.500 45.100 0.116 0.000 1.011 316 G HN 0.195 nan 8.290 nan 0.000 0.498 317 F N -2.289 117.695 119.950 0.056 0.000 2.686 317 F HA 0.860 5.387 4.527 0.001 0.000 0.311 317 F C -1.266 174.583 175.800 0.082 0.000 1.128 317 F CA -1.917 56.113 58.000 0.050 0.000 0.946 317 F CB 1.635 40.626 39.000 -0.015 0.000 1.336 317 F HN 0.950 nan 8.300 nan 0.000 0.457 318 F N 3.667 123.752 119.950 0.225 0.000 2.507 318 F HA 0.826 5.353 4.527 0.001 0.000 0.325 318 F C -2.076 173.848 175.800 0.207 0.000 1.116 318 F CA -1.302 56.771 58.000 0.121 0.000 0.930 318 F CB 1.847 40.879 39.000 0.053 0.000 1.146 318 F HN 0.715 nan 8.300 nan 0.000 0.447 319 L N 6.117 126.786 121.223 -0.924 0.000 2.439 319 L HA 0.452 4.793 4.340 0.001 0.000 0.270 319 L C -1.609 174.840 176.870 -0.702 0.000 0.972 319 L CA -0.283 54.191 54.840 -0.611 0.000 0.836 319 L CB 1.969 43.928 42.059 -0.166 0.000 1.255 319 L HN 0.761 nan 8.230 nan 0.000 0.404 320 Q N 4.224 123.753 119.800 -0.452 0.000 2.368 320 Q HA 0.612 4.952 4.340 0.001 0.000 0.263 320 Q C -1.751 174.204 176.000 -0.074 0.000 1.009 320 Q CA -0.599 55.094 55.803 -0.183 0.000 0.818 320 Q CB 1.663 30.459 28.738 0.097 0.000 1.239 320 Q HN 0.650 nan 8.270 nan 0.000 0.464 321 V N 4.131 123.995 119.914 -0.083 0.000 2.435 321 V HA 0.391 4.511 4.120 0.001 0.000 0.290 321 V C -0.293 175.778 176.094 -0.039 0.000 1.030 321 V CA -0.491 61.775 62.300 -0.057 0.000 0.881 321 V CB 1.639 33.416 31.823 -0.077 0.000 0.983 321 V HN 0.738 nan 8.190 nan 0.000 0.445 322 E N 3.249 123.441 120.200 -0.013 0.000 2.241 322 E HA 0.442 4.792 4.350 0.001 0.000 0.263 322 E C -0.084 176.504 176.600 -0.021 0.000 0.882 322 E CA -0.614 55.782 56.400 -0.005 0.000 0.769 322 E CB 1.950 31.682 29.700 0.053 0.000 1.185 322 E HN 0.810 nan 8.360 nan 0.000 0.415 323 G N 3.344 112.113 108.800 -0.051 0.000 2.915 323 G HA2 0.336 4.297 3.960 0.001 0.000 0.298 323 G HA3 0.336 4.297 3.960 0.001 0.000 0.298 323 G C 0.799 175.675 174.900 -0.039 0.000 0.837 323 G CA 0.378 45.440 45.100 -0.064 0.000 1.752 323 G HN 0.569 nan 8.290 nan 0.000 0.526 324 A N 2.301 125.117 122.820 -0.006 0.000 1.851 324 A HA -0.056 4.265 4.320 0.001 0.000 0.216 324 A C 2.513 180.116 177.584 0.031 0.000 1.195 324 A CA 1.958 54.011 52.037 0.027 0.000 0.622 324 A CB -0.437 18.591 19.000 0.046 0.000 0.831 324 A HN 0.498 nan 8.150 nan 0.000 0.444 325 S N 0.024 115.731 115.700 0.011 0.000 2.595 325 S HA 0.021 4.491 4.470 0.001 0.000 0.235 325 S C 1.435 176.028 174.600 -0.012 0.000 0.974 325 S CA 0.755 58.963 58.200 0.013 0.000 0.942 325 S CB -0.628 62.575 63.200 0.004 0.000 0.766 325 S HN 0.518 nan 8.310 nan 0.000 0.536 326 I N 1.413 121.960 120.570 -0.037 0.000 2.179 326 I HA -0.214 3.956 4.170 0.001 0.000 0.242 326 I C 2.403 178.494 176.117 -0.045 0.000 1.088 326 I CA 1.390 62.649 61.300 -0.068 0.000 1.357 326 I CB -0.463 37.483 38.000 -0.090 0.000 1.051 326 I HN 0.231 nan 8.210 nan 0.000 0.409 327 D N 1.428 121.844 120.400 0.028 0.000 2.108 327 D HA -0.227 4.414 4.640 0.001 0.000 0.190 327 D C 2.152 178.555 176.300 0.172 0.000 0.995 327 D CA 1.814 55.898 54.000 0.141 0.000 0.834 327 D CB 0.024 41.015 40.800 0.319 0.000 0.967 327 D HN 0.162 nan 8.370 nan 0.000 0.446 328 K N -0.489 120.044 120.400 0.221 0.000 2.089 328 K HA -0.215 4.105 4.320 0.001 0.000 0.210 328 K C 2.231 178.892 176.600 0.102 0.000 1.048 328 K CA 1.250 57.656 56.287 0.199 0.000 0.926 328 K CB -0.212 32.353 32.500 0.108 0.000 0.714 328 K HN 0.266 nan 8.250 nan 0.000 0.448 329 Q N 0.732 120.540 119.800 0.013 0.000 2.230 329 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 329 Q C 1.671 177.608 176.000 -0.105 0.000 0.963 329 Q CA 1.089 56.868 55.803 -0.040 0.000 0.866 329 Q CB -0.186 28.524 28.738 -0.047 0.000 0.931 329 Q HN 0.342 nan 8.270 nan 0.000 0.452 330 D N -0.426 119.866 120.400 -0.180 0.000 2.123 330 D HA -0.141 4.499 4.640 0.001 0.000 0.200 330 D C 1.638 177.747 176.300 -0.318 0.000 0.976 330 D CA 0.722 54.545 54.000 -0.296 0.000 0.831 330 D CB 0.257 40.590 40.800 -0.778 0.000 0.974 330 D HN 0.313 nan 8.370 nan 0.000 0.469 331 H N 0.185 119.112 119.070 -0.238 0.000 2.353 331 H HA -0.034 4.522 4.556 0.001 0.000 0.300 331 H C 1.732 177.012 175.328 -0.080 0.000 1.090 331 H CA 1.445 57.500 56.048 0.013 0.000 1.327 331 H CB -0.004 29.826 29.762 0.113 0.000 1.383 331 H HN 0.128 nan 8.280 nan 0.000 0.508 332 A N 0.152 122.973 122.820 0.002 0.000 2.206 332 A HA 0.344 4.665 4.320 0.001 0.000 0.211 332 A C 1.616 179.063 177.584 -0.228 0.000 1.158 332 A CA 1.032 53.022 52.037 -0.078 0.000 0.761 332 A CB -0.234 18.739 19.000 -0.046 0.000 0.801 332 A HN 0.490 nan 8.150 nan 0.000 0.473 333 A N -0.743 121.774 122.820 -0.505 0.000 2.969 333 A HA -0.167 4.153 4.320 0.001 0.000 0.252 333 A C 0.291 177.564 177.584 -0.518 0.000 1.377 333 A CA 0.752 52.199 52.037 -0.985 0.000 0.859 333 A CB -2.467 16.182 19.000 -0.584 0.000 1.077 333 A HN 0.540 nan 8.150 nan 0.000 0.671 334 N N -0.341 118.187 118.700 -0.286 0.000 2.955 334 N HA 0.396 5.137 4.740 0.001 0.000 0.242 334 N C -1.726 173.780 175.510 -0.007 0.000 1.123 334 N CA -1.636 51.358 53.050 -0.093 0.000 0.949 334 N CB 0.827 39.278 38.487 -0.060 0.000 1.214 334 N HN 0.129 nan 8.380 nan 0.000 0.504 335 P HA -0.105 nan 4.420 nan 0.000 0.217 335 P C 1.225 178.523 177.300 -0.004 0.000 1.151 335 P CA 1.089 64.246 63.100 0.096 0.000 0.849 335 P CB 0.388 32.161 31.700 0.123 0.000 0.787 336 c N -1.687 116.917 118.600 0.007 0.000 2.432 336 c HA 0.057 4.627 4.570 0.001 0.000 0.282 336 c C 2.805 176.959 174.090 0.106 0.000 1.388 336 c CA 1.452 57.816 56.329 0.059 0.000 1.777 336 c CB -1.862 40.701 42.510 0.088 0.000 1.882 336 c HN 0.325 nan 8.230 nan 0.000 0.520 337 G N -1.187 107.630 108.800 0.028 0.000 2.459 337 G HA2 -0.134 3.827 3.960 0.001 0.000 0.213 337 G HA3 -0.134 3.827 3.960 0.001 0.000 0.213 337 G C 1.528 176.365 174.900 -0.106 0.000 1.155 337 G CA 0.374 45.467 45.100 -0.010 0.000 0.811 337 G HN 0.590 nan 8.290 nan 0.000 0.534 338 Q N -0.098 119.652 119.800 -0.085 0.000 2.050 338 Q HA -0.046 4.294 4.340 0.001 0.000 0.202 338 Q C 2.486 178.381 176.000 -0.175 0.000 0.980 338 Q CA 1.157 56.900 55.803 -0.100 0.000 0.840 338 Q CB -0.179 28.544 28.738 -0.024 0.000 0.898 338 Q HN 0.533 nan 8.270 nan 0.000 0.424 339 I N -0.007 120.440 120.570 -0.204 0.000 2.202 339 I HA -0.175 3.996 4.170 0.001 0.000 0.242 339 I C 2.380 178.085 176.117 -0.686 0.000 1.091 339 I CA 1.046 62.169 61.300 -0.295 0.000 1.368 339 I CB -0.697 37.186 38.000 -0.194 0.000 1.058 339 I HN 0.357 nan 8.210 nan 0.000 0.410 340 G N 0.503 108.611 108.800 -1.153 0.000 2.469 340 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 340 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 340 G C 1.523 175.882 174.900 -0.901 0.000 1.136 340 G CA 0.644 44.549 45.100 -1.991 0.000 0.759 340 G HN 0.292 nan 8.290 nan 0.000 0.562 341 E N 0.340 120.234 120.200 -0.511 0.000 2.204 341 E HA -0.059 4.291 4.350 0.001 0.000 0.194 341 E C 2.698 179.130 176.600 -0.280 0.000 0.989 341 E CA 1.202 57.421 56.400 -0.302 0.000 0.824 341 E CB -0.444 29.140 29.700 -0.192 0.000 0.756 341 E HN 0.420 nan 8.360 nan 0.000 0.477 342 T N 0.341 114.706 114.554 -0.315 0.000 2.978 342 T HA -0.006 4.345 4.350 0.001 0.000 0.262 342 T C 2.128 176.617 174.700 -0.352 0.000 1.063 342 T CA 0.406 62.323 62.100 -0.305 0.000 1.140 342 T CB 0.012 68.720 68.868 -0.266 0.000 0.886 342 T HN -0.046 nan 8.240 nan 0.000 0.470 343 V N 2.122 121.847 119.914 -0.315 0.000 2.358 343 V HA -0.149 3.972 4.120 0.001 0.000 0.246 343 V C 2.501 178.506 176.094 -0.147 0.000 1.047 343 V CA 1.922 64.123 62.300 -0.165 0.000 1.035 343 V CB -0.464 31.290 31.823 -0.115 0.000 0.658 343 V HN 0.455 nan 8.190 nan 0.000 0.452 344 D N 0.001 120.288 120.400 -0.189 0.000 2.097 344 D HA -0.193 4.448 4.640 0.001 0.000 0.195 344 D C 1.977 178.197 176.300 -0.134 0.000 0.989 344 D CA 1.548 55.472 54.000 -0.127 0.000 0.827 344 D CB -0.209 40.509 40.800 -0.137 0.000 0.966 344 D HN 0.291 nan 8.370 nan 0.000 0.456 345 L N 0.709 121.824 121.223 -0.179 0.000 2.083 345 L HA -0.093 4.247 4.340 0.001 0.000 0.209 345 L C 1.739 178.491 176.870 -0.197 0.000 1.083 345 L CA 2.240 56.973 54.840 -0.178 0.000 0.752 345 L CB -1.169 40.771 42.059 -0.198 0.000 0.899 345 L HN 0.066 nan 8.230 nan 0.000 0.433 346 D N -0.672 119.571 120.400 -0.261 0.000 2.133 346 D HA -0.259 4.382 4.640 0.001 0.000 0.195 346 D C 1.947 178.171 176.300 -0.126 0.000 0.997 346 D CA 1.795 55.635 54.000 -0.266 0.000 0.840 346 D CB -0.018 40.574 40.800 -0.346 0.000 0.947 346 D HN 0.602 nan 8.370 nan 0.000 0.452 347 E N -0.180 119.973 120.200 -0.080 0.000 2.077 347 E HA -0.154 4.196 4.350 0.001 0.000 0.193 347 E C 2.209 178.781 176.600 -0.047 0.000 0.989 347 E CA 0.987 57.364 56.400 -0.037 0.000 0.800 347 E CB -0.216 29.473 29.700 -0.018 0.000 0.746 347 E HN 0.402 nan 8.360 nan 0.000 0.452 348 A N 0.930 123.709 122.820 -0.068 0.000 1.883 348 A HA -0.185 4.136 4.320 0.001 0.000 0.217 348 A C 2.521 180.069 177.584 -0.061 0.000 1.186 348 A CA 1.452 53.450 52.037 -0.065 0.000 0.624 348 A CB -0.859 18.093 19.000 -0.080 0.000 0.822 348 A HN 0.137 nan 8.150 nan 0.000 0.444 349 V N -0.028 119.836 119.914 -0.084 0.000 2.392 349 V HA -0.358 3.763 4.120 0.001 0.000 0.249 349 V C 2.647 178.712 176.094 -0.050 0.000 1.059 349 V CA 2.345 64.596 62.300 -0.081 0.000 1.051 349 V CB -0.959 30.787 31.823 -0.128 0.000 0.658 349 V HN 0.639 nan 8.190 nan 0.000 0.455 350 Q N -0.545 119.230 119.800 -0.043 0.000 2.050 350 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 350 Q C 2.518 178.522 176.000 0.007 0.000 0.980 350 Q CA 1.719 57.513 55.803 -0.016 0.000 0.840 350 Q CB -0.157 28.579 28.738 -0.002 0.000 0.898 350 Q HN 0.468 nan 8.270 nan 0.000 0.424 351 R N 0.103 120.608 120.500 0.008 0.000 2.148 351 R HA -0.066 4.274 4.340 0.001 0.000 0.227 351 R C 2.007 178.353 176.300 0.075 0.000 1.103 351 R CA 1.133 57.253 56.100 0.035 0.000 0.983 351 R CB -0.399 29.908 30.300 0.011 0.000 0.874 351 R HN 0.269 nan 8.270 nan 0.000 0.451 352 A N 0.551 123.401 122.820 0.049 0.000 1.845 352 A HA -0.138 4.182 4.320 0.001 0.000 0.215 352 A C 2.042 179.720 177.584 0.156 0.000 1.195 352 A CA 1.284 53.376 52.037 0.091 0.000 0.616 352 A CB -0.678 18.342 19.000 0.033 0.000 0.832 352 A HN 0.237 nan 8.150 nan 0.000 0.443 353 L N -0.779 120.488 121.223 0.073 0.000 2.131 353 L HA -0.201 4.139 4.340 0.001 0.000 0.210 353 L C 2.554 179.456 176.870 0.053 0.000 1.092 353 L CA 1.490 56.350 54.840 0.034 0.000 0.759 353 L CB -0.633 41.372 42.059 -0.090 0.000 0.903 353 L HN 0.488 nan 8.230 nan 0.000 0.435 354 E N -0.205 120.038 120.200 0.071 0.000 2.051 354 E HA -0.251 4.099 4.350 0.001 0.000 0.192 354 E C 1.925 178.593 176.600 0.114 0.000 0.991 354 E CA 1.607 58.050 56.400 0.071 0.000 0.799 354 E CB -0.162 29.581 29.700 0.071 0.000 0.748 354 E HN 0.394 nan 8.360 nan 0.000 0.449 355 F N 1.414 121.392 119.950 0.046 0.000 2.022 355 F HA -0.154 4.374 4.527 0.001 0.000 0.293 355 F C 2.280 178.135 175.800 0.092 0.000 1.142 355 F CA 1.565 59.608 58.000 0.072 0.000 1.177 355 F CB -0.732 38.327 39.000 0.098 0.000 0.982 355 F HN -0.026 nan 8.300 nan 0.000 0.473 356 A N 0.398 123.356 122.820 0.229 0.000 1.969 356 A HA -0.393 3.927 4.320 0.001 0.000 0.223 356 A C 2.327 179.970 177.584 0.098 0.000 1.218 356 A CA 2.573 54.709 52.037 0.164 0.000 0.667 356 A CB -1.220 17.992 19.000 0.352 0.000 0.826 356 A HN 0.601 nan 8.150 nan 0.000 0.472 357 K N -1.186 119.267 120.400 0.089 0.000 2.025 357 K HA -0.150 4.170 4.320 0.001 0.000 0.207 357 K C 2.118 178.709 176.600 -0.015 0.000 1.049 357 K CA 1.639 57.974 56.287 0.080 0.000 0.933 357 K CB -0.102 32.402 32.500 0.007 0.000 0.714 357 K HN 0.308 nan 8.250 nan 0.000 0.438 358 K N 0.963 121.305 120.400 -0.096 0.000 2.007 358 K HA -0.085 4.235 4.320 0.001 0.000 0.206 358 K C 1.986 178.472 176.600 -0.189 0.000 1.047 358 K CA 1.139 57.353 56.287 -0.123 0.000 0.937 358 K CB -0.250 32.179 32.500 -0.119 0.000 0.718 358 K HN 0.107 nan 8.250 nan 0.000 0.438 359 E N -0.157 119.812 120.200 -0.385 0.000 2.049 359 E HA -0.201 4.149 4.350 0.001 0.000 0.198 359 E C 1.136 177.613 176.600 -0.204 0.000 1.007 359 E CA 1.777 57.935 56.400 -0.402 0.000 0.809 359 E CB -0.177 29.021 29.700 -0.836 0.000 0.749 359 E HN 0.442 nan 8.360 nan 0.000 0.450 360 G N 0.407 109.109 108.800 -0.163 0.000 2.179 360 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 360 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 360 G C 0.732 175.571 174.900 -0.102 0.000 0.977 360 G CA 0.641 45.684 45.100 -0.095 0.000 0.641 360 G HN 0.457 nan 8.290 nan 0.000 0.533 361 N N -0.408 118.232 118.700 -0.100 0.000 2.194 361 N HA 0.208 4.949 4.740 0.001 0.000 0.231 361 N C -0.270 175.202 175.510 -0.064 0.000 1.247 361 N CA 0.183 53.188 53.050 -0.076 0.000 0.884 361 N CB 0.937 39.394 38.487 -0.050 0.000 1.146 361 N HN 0.259 nan 8.380 nan 0.000 0.516 362 T N 1.385 115.909 114.554 -0.050 0.000 2.799 362 T HA 0.301 4.651 4.350 0.001 0.000 0.286 362 T C -0.546 174.138 174.700 -0.026 0.000 0.973 362 T CA -0.396 61.705 62.100 0.002 0.000 1.035 362 T CB 1.806 70.782 68.868 0.181 0.000 0.932 362 T HN -0.025 nan 8.240 nan 0.000 0.469 363 L N 5.146 126.353 121.223 -0.027 0.000 2.264 363 L HA 0.605 4.946 4.340 0.001 0.000 0.289 363 L C -0.881 175.999 176.870 0.016 0.000 1.044 363 L CA -0.320 54.505 54.840 -0.025 0.000 0.807 363 L CB 0.716 42.772 42.059 -0.005 0.000 1.192 363 L HN 0.427 nan 8.230 nan 0.000 0.425 364 V N 7.042 126.995 119.914 0.065 0.000 2.417 364 V HA 0.510 4.631 4.120 0.001 0.000 0.291 364 V C -0.001 176.110 176.094 0.028 0.000 1.024 364 V CA -0.373 61.969 62.300 0.071 0.000 0.861 364 V CB 1.571 33.484 31.823 0.149 0.000 0.985 364 V HN 0.628 nan 8.190 nan 0.000 0.436 365 I N 5.102 125.651 120.570 -0.034 0.000 2.468 365 I HA 0.458 4.628 4.170 0.001 0.000 0.285 365 I C -0.830 175.206 176.117 -0.136 0.000 1.039 365 I CA -0.748 60.502 61.300 -0.084 0.000 1.074 365 I CB 2.166 40.102 38.000 -0.107 0.000 1.228 365 I HN 0.244 nan 8.210 nan 0.000 0.436 366 V N 5.234 125.062 119.914 -0.143 0.000 2.357 366 V HA 0.637 4.757 4.120 0.001 0.000 0.284 366 V C 0.021 175.985 176.094 -0.216 0.000 1.018 366 V CA -0.094 62.102 62.300 -0.173 0.000 0.841 366 V CB 1.574 33.310 31.823 -0.145 0.000 0.991 366 V HN 0.876 nan 8.190 nan 0.000 0.437 367 T N 3.300 117.700 114.554 -0.256 0.000 2.665 367 T HA 0.839 5.190 4.350 0.001 0.000 0.303 367 T C -0.984 173.575 174.700 -0.234 0.000 1.334 367 T CA 0.379 62.317 62.100 -0.270 0.000 1.011 367 T CB 1.937 70.553 68.868 -0.420 0.000 1.573 367 T HN 0.936 nan 8.240 nan 0.000 0.492 368 A N 0.263 122.984 122.820 -0.164 0.000 2.389 368 A HA 0.721 5.042 4.320 0.001 0.000 0.293 368 A C 0.411 177.924 177.584 -0.118 0.000 1.186 368 A CA 0.102 52.033 52.037 -0.175 0.000 0.828 368 A CB 1.025 19.918 19.000 -0.179 0.000 1.369 368 A HN 0.878 nan 8.150 nan 0.000 0.446 369 D N -1.264 119.028 120.400 -0.180 0.000 2.277 369 D HA 0.150 4.791 4.640 0.001 0.000 0.209 369 D C 0.418 176.539 176.300 -0.299 0.000 0.970 369 D CA 1.603 55.606 54.000 0.005 0.000 0.874 369 D CB -0.217 40.738 40.800 0.258 0.000 0.982 369 D HN 0.768 nan 8.370 nan 0.000 0.504 370 H N -1.963 116.901 119.070 -0.342 0.000 2.932 370 H HA 0.727 5.283 4.556 0.001 0.000 0.307 370 H C -1.369 173.784 175.328 -0.291 0.000 1.391 370 H CA -0.980 54.689 56.048 -0.632 0.000 1.130 370 H CB 0.787 30.262 29.762 -0.478 0.000 1.836 370 H HN 0.073 nan 8.280 nan 0.000 0.522 371 A N 0.517 123.392 122.820 0.092 0.000 2.286 371 A HA 0.525 4.846 4.320 0.001 0.000 0.286 371 A C -0.635 177.084 177.584 0.226 0.000 1.097 371 A CA -0.313 51.825 52.037 0.169 0.000 0.821 371 A CB 0.465 19.589 19.000 0.208 0.000 1.076 371 A HN 0.741 nan 8.150 nan 0.000 0.490 372 H N -0.740 118.411 119.070 0.135 0.000 2.869 372 H HA 0.592 5.148 4.556 0.001 0.000 0.342 372 H C 1.214 176.599 175.328 0.095 0.000 1.250 372 H CA 0.123 56.243 56.048 0.120 0.000 1.217 372 H CB 2.144 31.958 29.762 0.087 0.000 1.917 372 H HN 0.649 nan 8.280 nan 0.000 0.586 373 A N 1.087 124.193 122.820 0.477 0.000 1.940 373 A HA -0.119 4.201 4.320 0.001 0.000 0.219 373 A C 1.259 178.921 177.584 0.129 0.000 1.176 373 A CA 1.398 53.618 52.037 0.304 0.000 0.631 373 A CB -0.586 18.658 19.000 0.406 0.000 0.814 373 A HN 0.477 nan 8.150 nan 0.000 0.446 374 S N 0.185 115.916 115.700 0.052 0.000 2.593 374 S HA 0.150 4.621 4.470 0.001 0.000 0.300 374 S C -0.035 174.453 174.600 -0.187 0.000 1.267 374 S CA 0.164 58.194 58.200 -0.284 0.000 1.065 374 S CB -0.071 63.005 63.200 -0.207 0.000 0.807 374 S HN 0.550 nan 8.310 nan 0.000 0.499 375 Q N 3.190 122.829 119.800 -0.268 0.000 2.413 375 Q HA 0.513 4.854 4.340 0.001 0.000 0.276 375 Q C -0.965 174.961 176.000 -0.123 0.000 1.099 375 Q CA -0.710 55.013 55.803 -0.135 0.000 0.814 375 Q CB 2.035 30.724 28.738 -0.083 0.000 1.379 375 Q HN 0.709 nan 8.270 nan 0.000 0.436 376 I N 2.815 123.350 120.570 -0.058 0.000 2.347 376 I HA 0.194 4.365 4.170 0.001 0.000 0.283 376 I C 0.139 176.245 176.117 -0.018 0.000 1.058 376 I CA -0.617 60.664 61.300 -0.032 0.000 1.202 376 I CB 0.610 38.607 38.000 -0.006 0.000 1.386 376 I HN 0.316 nan 8.210 nan 0.000 0.475 377 V N 2.906 122.808 119.914 -0.020 0.000 3.262 377 V HA 0.796 4.917 4.120 0.001 0.000 0.313 377 V C 0.719 176.814 176.094 0.001 0.000 1.070 377 V CA -0.813 61.483 62.300 -0.007 0.000 1.049 377 V CB 1.294 33.113 31.823 -0.006 0.000 1.157 377 V HN 0.605 nan 8.190 nan 0.000 0.454 378 A N 1.082 123.903 122.820 0.002 0.000 2.366 378 A HA 0.559 4.879 4.320 0.001 0.000 0.249 378 A C -1.206 176.380 177.584 0.002 0.000 1.084 378 A CA -0.933 51.106 52.037 0.003 0.000 0.794 378 A CB -0.350 18.651 19.000 0.001 0.000 1.034 378 A HN 0.812 nan 8.150 nan 0.000 0.491 379 P HA -0.192 nan 4.420 nan 0.000 0.216 379 P C 0.662 177.958 177.300 -0.007 0.000 1.157 379 P CA 1.813 64.915 63.100 0.003 0.000 0.880 379 P CB 0.033 31.735 31.700 0.003 0.000 0.791 380 D N -2.300 118.093 120.400 -0.013 0.000 2.319 380 D HA -0.019 4.621 4.640 0.001 0.000 0.230 380 D C -0.188 176.094 176.300 -0.030 0.000 1.094 380 D CA 0.277 54.262 54.000 -0.025 0.000 0.856 380 D CB -0.937 39.849 40.800 -0.023 0.000 0.915 380 D HN 0.052 nan 8.370 nan 0.000 0.517 381 T N 1.153 115.696 114.554 -0.018 0.000 2.934 381 T HA 0.023 4.373 4.350 0.001 0.000 0.306 381 T C 0.346 175.031 174.700 -0.025 0.000 1.042 381 T CA 0.231 62.323 62.100 -0.013 0.000 1.145 381 T CB 1.064 69.931 68.868 -0.001 0.000 0.982 381 T HN 0.040 nan 8.240 nan 0.000 0.544 382 K N 2.321 122.710 120.400 -0.018 0.000 2.423 382 K HA 0.525 4.846 4.320 0.001 0.000 0.234 382 K C -0.287 176.341 176.600 0.048 0.000 1.051 382 K CA -0.379 55.895 56.287 -0.023 0.000 1.021 382 K CB 0.878 33.346 32.500 -0.054 0.000 1.474 382 K HN 0.692 nan 8.250 nan 0.000 0.474 383 A N 2.526 125.385 122.820 0.066 0.000 2.293 383 A HA 0.444 4.765 4.320 0.001 0.000 0.302 383 A C -1.556 176.102 177.584 0.123 0.000 1.119 383 A CA -1.183 50.904 52.037 0.083 0.000 0.823 383 A CB 0.265 19.306 19.000 0.068 0.000 1.097 383 A HN 0.474 nan 8.150 nan 0.000 0.491 384 P HA 0.074 nan 4.420 nan 0.000 0.240 384 P C 0.856 178.290 177.300 0.222 0.000 1.190 384 P CA 1.041 64.266 63.100 0.210 0.000 0.781 384 P CB 0.328 32.112 31.700 0.140 0.000 0.931 385 G N 0.542 109.449 108.800 0.178 0.000 2.882 385 G HA2 0.536 4.497 3.960 0.001 0.000 0.164 385 G HA3 0.536 4.497 3.960 0.001 0.000 0.164 385 G C -0.786 174.240 174.900 0.210 0.000 1.429 385 G CA -0.564 44.646 45.100 0.182 0.000 1.059 385 G HN 0.065 nan 8.290 nan 0.000 0.581 386 L N 0.857 122.207 121.223 0.213 0.000 2.322 386 L HA 0.530 4.871 4.340 0.001 0.000 0.281 386 L C 0.521 177.535 176.870 0.240 0.000 1.014 386 L CA -0.675 54.291 54.840 0.211 0.000 0.815 386 L CB 2.116 44.288 42.059 0.187 0.000 1.247 386 L HN 0.723 nan 8.230 nan 0.000 0.421 387 T N -0.190 114.466 114.554 0.169 0.000 2.807 387 T HA 0.743 5.093 4.350 0.001 0.000 0.277 387 T C -0.779 174.002 174.700 0.135 0.000 1.006 387 T CA -0.840 61.343 62.100 0.139 0.000 1.006 387 T CB 2.206 71.121 68.868 0.079 0.000 1.274 387 T HN 0.606 nan 8.240 nan 0.000 0.569 388 Q N -0.742 119.121 119.800 0.104 0.000 2.774 388 Q HA 0.498 4.839 4.340 0.001 0.000 0.232 388 Q C -2.142 173.904 176.000 0.076 0.000 0.985 388 Q CA -0.741 55.118 55.803 0.094 0.000 1.058 388 Q CB 1.226 30.035 28.738 0.119 0.000 1.789 388 Q HN 1.199 nan 8.270 nan 0.000 0.487 389 A N 4.547 127.407 122.820 0.066 0.000 2.276 389 A HA 0.642 4.963 4.320 0.001 0.000 0.300 389 A C -0.997 176.639 177.584 0.087 0.000 1.235 389 A CA -0.350 51.726 52.037 0.065 0.000 0.867 389 A CB 0.423 19.453 19.000 0.049 0.000 1.137 389 A HN 0.523 nan 8.150 nan 0.000 0.527 390 L N 2.358 123.650 121.223 0.115 0.000 2.325 390 L HA 0.355 4.696 4.340 0.001 0.000 0.278 390 L C 0.052 177.041 176.870 0.198 0.000 1.023 390 L CA -0.375 54.577 54.840 0.186 0.000 0.811 390 L CB 1.359 43.568 42.059 0.250 0.000 1.249 390 L HN 0.796 nan 8.230 nan 0.000 0.431 391 N N 0.740 119.571 118.700 0.218 0.000 2.406 391 N HA 0.280 5.021 4.740 0.001 0.000 0.251 391 N C 0.041 175.577 175.510 0.043 0.000 1.069 391 N CA -0.139 52.975 53.050 0.108 0.000 0.947 391 N CB 1.037 39.564 38.487 0.067 0.000 1.111 391 N HN 0.679 nan 8.380 nan 0.000 0.497 392 T N -0.676 113.861 114.554 -0.030 0.000 2.881 392 T HA 0.187 4.537 4.350 0.001 0.000 0.278 392 T C 1.246 175.801 174.700 -0.241 0.000 0.982 392 T CA -0.672 61.305 62.100 -0.205 0.000 0.989 392 T CB 1.287 70.121 68.868 -0.058 0.000 1.058 392 T HN 0.372 nan 8.240 nan 0.000 0.529 393 K N 0.127 120.345 120.400 -0.303 0.000 2.360 393 K HA -0.145 4.176 4.320 0.001 0.000 0.201 393 K C 1.357 177.885 176.600 -0.120 0.000 1.046 393 K CA 1.664 57.827 56.287 -0.206 0.000 0.940 393 K CB -0.516 31.872 32.500 -0.187 0.000 0.748 393 K HN 0.591 nan 8.250 nan 0.000 0.465 394 D N -0.796 119.547 120.400 -0.095 0.000 2.277 394 D HA 0.018 4.658 4.640 0.001 0.000 0.208 394 D C 1.251 177.521 176.300 -0.050 0.000 0.962 394 D CA 1.406 55.370 54.000 -0.060 0.000 0.865 394 D CB 0.364 41.139 40.800 -0.042 0.000 0.939 394 D HN 0.504 nan 8.370 nan 0.000 0.510 395 G N 0.307 109.074 108.800 -0.055 0.000 2.213 395 G HA2 -0.175 3.786 3.960 0.001 0.000 0.226 395 G HA3 -0.175 3.786 3.960 0.001 0.000 0.226 395 G C 0.463 175.349 174.900 -0.024 0.000 0.992 395 G CA 0.220 45.297 45.100 -0.040 0.000 0.632 395 G HN 0.615 nan 8.290 nan 0.000 0.511 396 A N 0.195 123.004 122.820 -0.020 0.000 2.304 396 A HA 0.769 5.089 4.320 0.001 0.000 0.301 396 A C 0.356 177.946 177.584 0.010 0.000 1.132 396 A CA -0.066 51.969 52.037 -0.004 0.000 0.819 396 A CB 1.498 20.496 19.000 -0.004 0.000 1.094 396 A HN 1.068 nan 8.150 nan 0.000 0.492 397 V N 3.773 123.699 119.914 0.020 0.000 2.455 397 V HA 0.230 4.351 4.120 0.001 0.000 0.273 397 V C 0.363 176.484 176.094 0.044 0.000 1.045 397 V CA 0.168 62.490 62.300 0.038 0.000 0.976 397 V CB 0.847 32.690 31.823 0.033 0.000 0.993 397 V HN 0.923 nan 8.190 nan 0.000 0.475 398 M N 6.356 125.998 119.600 0.070 0.000 2.336 398 M HA 0.590 5.071 4.480 0.001 0.000 0.342 398 M C -1.299 175.040 176.300 0.066 0.000 1.128 398 M CA -0.403 54.938 55.300 0.069 0.000 1.016 398 M CB 1.665 34.322 32.600 0.097 0.000 1.665 398 M HN 0.406 nan 8.290 nan 0.000 0.445 399 V N 6.211 126.149 119.914 0.041 0.000 2.435 399 V HA 0.494 4.615 4.120 0.001 0.000 0.290 399 V C -0.162 175.939 176.094 0.012 0.000 1.030 399 V CA -0.532 61.788 62.300 0.032 0.000 0.881 399 V CB 1.791 33.627 31.823 0.022 0.000 0.983 399 V HN 0.961 nan 8.190 nan 0.000 0.445 400 M N 2.923 122.527 119.600 0.006 0.000 2.578 400 M HA 0.585 5.065 4.480 0.001 0.000 0.321 400 M C -0.305 175.938 176.300 -0.095 0.000 1.182 400 M CA -0.242 55.017 55.300 -0.069 0.000 0.965 400 M CB 2.254 34.808 32.600 -0.077 0.000 1.694 400 M HN 0.648 nan 8.290 nan 0.000 0.461 401 S N 0.888 116.446 115.700 -0.236 0.000 2.548 401 S HA 0.701 5.171 4.470 0.001 0.000 0.286 401 S C -1.968 172.403 174.600 -0.381 0.000 1.098 401 S CA -0.491 57.607 58.200 -0.170 0.000 0.930 401 S CB 0.932 64.096 63.200 -0.061 0.000 1.070 401 S HN 0.554 nan 8.310 nan 0.000 0.480 402 Y N 1.756 122.090 120.300 0.057 0.000 2.541 402 Y HA 0.459 5.009 4.550 0.001 0.000 0.350 402 Y C 0.762 176.704 175.900 0.070 0.000 1.075 402 Y CA -0.743 57.395 58.100 0.064 0.000 1.302 402 Y CB 1.646 40.142 38.460 0.059 0.000 1.094 402 Y HN 0.804 nan 8.280 nan 0.000 0.579 403 G N 1.370 110.274 108.800 0.174 0.000 4.828 403 G HA2 0.020 3.980 3.960 0.001 0.000 0.294 403 G HA3 0.020 3.980 3.960 0.001 0.000 0.294 403 G C 0.266 175.233 174.900 0.111 0.000 1.288 403 G CA -0.428 44.755 45.100 0.139 0.000 0.987 403 G HN 0.516 nan 8.290 nan 0.000 0.587 404 N N -0.813 117.961 118.700 0.123 0.000 2.184 404 N HA 0.131 4.871 4.740 0.001 0.000 0.206 404 N C 0.029 175.588 175.510 0.082 0.000 1.151 404 N CA -0.137 52.970 53.050 0.095 0.000 0.878 404 N CB 1.008 39.552 38.487 0.094 0.000 1.014 404 N HN 0.108 nan 8.380 nan 0.000 0.512 405 S N -0.756 114.997 115.700 0.088 0.000 2.537 405 S HA 0.363 4.833 4.470 0.001 0.000 0.270 405 S C -0.383 174.252 174.600 0.057 0.000 1.142 405 S CA -0.536 57.704 58.200 0.067 0.000 0.870 405 S CB 1.552 64.797 63.200 0.075 0.000 1.112 405 S HN 0.138 nan 8.310 nan 0.000 0.466 406 E N 1.238 121.459 120.200 0.036 0.000 2.413 406 E HA 0.116 4.467 4.350 0.001 0.000 0.203 406 E C -0.342 176.265 176.600 0.012 0.000 0.957 406 E CA 0.075 56.486 56.400 0.018 0.000 0.950 406 E CB 0.354 30.057 29.700 0.005 0.000 0.957 406 E HN 0.673 nan 8.360 nan 0.000 0.497 407 E N 1.582 121.792 120.200 0.017 0.000 2.418 407 E HA -0.013 4.337 4.350 0.001 0.000 0.261 407 E C -0.801 175.809 176.600 0.018 0.000 1.070 407 E CA 0.158 56.565 56.400 0.011 0.000 0.931 407 E CB 0.350 30.057 29.700 0.012 0.000 0.954 407 E HN 0.037 nan 8.360 nan 0.000 0.439 408 D N 1.430 121.835 120.400 0.008 0.000 2.671 408 D HA 0.183 4.823 4.640 0.001 0.000 0.228 408 D C -0.898 175.414 176.300 0.019 0.000 1.102 408 D CA 0.275 54.280 54.000 0.008 0.000 1.044 408 D CB 0.148 40.946 40.800 -0.004 0.000 1.113 408 D HN 0.087 nan 8.370 nan 0.000 0.480 409 S N 0.898 116.628 115.700 0.049 0.000 2.551 409 S HA 0.017 4.488 4.470 0.001 0.000 0.325 409 S C -1.043 173.654 174.600 0.162 0.000 0.963 409 S CA -0.933 57.332 58.200 0.108 0.000 0.876 409 S CB 0.391 63.641 63.200 0.082 0.000 1.132 409 S HN 0.029 nan 8.310 nan 0.000 0.458 410 Q N 2.610 122.523 119.800 0.187 0.000 2.471 410 Q HA 0.451 4.791 4.340 0.001 0.000 0.223 410 Q C 0.329 176.479 176.000 0.250 0.000 1.045 410 Q CA -0.001 55.922 55.803 0.199 0.000 0.956 410 Q CB 0.680 29.538 28.738 0.201 0.000 1.249 410 Q HN 0.855 nan 8.270 nan 0.000 0.549 411 E N -1.015 119.283 120.200 0.163 0.000 2.408 411 E HA 0.377 4.727 4.350 0.001 0.000 0.275 411 E C -0.951 175.536 176.600 -0.190 0.000 0.935 411 E CA -0.805 55.578 56.400 -0.029 0.000 0.775 411 E CB 0.802 30.492 29.700 -0.017 0.000 1.277 411 E HN 0.538 nan 8.360 nan 0.000 0.455 412 H N 0.579 119.275 119.070 -0.625 0.000 3.119 412 H HA 0.043 4.600 4.556 0.001 0.000 0.334 412 H C -0.208 174.999 175.328 -0.202 0.000 1.042 412 H CA 0.721 56.405 56.048 -0.607 0.000 1.354 412 H CB 0.491 29.863 29.762 -0.649 0.000 1.285 412 H HN 0.471 nan 8.280 nan 0.000 0.601 413 T N 0.691 115.282 114.554 0.062 0.000 2.930 413 T HA 0.303 4.653 4.350 0.001 0.000 0.290 413 T C 1.409 176.236 174.700 0.211 0.000 1.052 413 T CA -0.430 61.743 62.100 0.121 0.000 1.017 413 T CB 1.827 70.766 68.868 0.118 0.000 1.137 413 T HN 0.706 nan 8.240 nan 0.000 0.511 414 G N 0.222 109.133 108.800 0.185 0.000 2.880 414 G HA2 0.140 4.101 3.960 0.001 0.000 0.209 414 G HA3 0.140 4.101 3.960 0.001 0.000 0.209 414 G C 0.711 175.679 174.900 0.114 0.000 1.157 414 G CA -0.128 45.089 45.100 0.196 0.000 0.779 414 G HN 0.723 nan 8.290 nan 0.000 0.539 415 S N 0.537 116.326 115.700 0.148 0.000 2.559 415 S HA 0.134 4.604 4.470 0.001 0.000 0.282 415 S C 0.911 175.623 174.600 0.187 0.000 1.336 415 S CA -0.347 57.926 58.200 0.122 0.000 1.037 415 S CB 0.304 63.577 63.200 0.121 0.000 0.853 415 S HN 0.600 nan 8.310 nan 0.000 0.523 416 Q N 2.510 122.379 119.800 0.115 0.000 2.394 416 Q HA 0.505 4.845 4.340 0.001 0.000 0.248 416 Q C -0.318 175.826 176.000 0.241 0.000 0.992 416 Q CA -0.506 55.397 55.803 0.167 0.000 0.888 416 Q CB 0.246 29.056 28.738 0.120 0.000 1.257 416 Q HN 0.584 nan 8.270 nan 0.000 0.462 417 L N -2.227 119.186 121.223 0.317 0.000 2.359 417 L HA 0.647 4.987 4.340 0.001 0.000 0.256 417 L C -0.312 176.682 176.870 0.207 0.000 1.026 417 L CA -1.467 53.514 54.840 0.233 0.000 0.828 417 L CB 1.692 43.873 42.059 0.203 0.000 1.406 417 L HN 0.650 nan 8.230 nan 0.000 0.413 418 R N 0.974 121.526 120.500 0.087 0.000 2.738 418 R HA 0.549 4.890 4.340 0.001 0.000 0.268 418 R C -1.264 174.966 176.300 -0.116 0.000 1.062 418 R CA -0.167 55.935 56.100 0.004 0.000 1.158 418 R CB 0.687 30.980 30.300 -0.011 0.000 1.046 418 R HN 0.892 nan 8.270 nan 0.000 0.493 419 I N 1.989 122.448 120.570 -0.186 0.000 2.563 419 I HA 0.372 4.543 4.170 0.001 0.000 0.285 419 I C -1.594 174.413 176.117 -0.184 0.000 1.123 419 I CA -0.239 60.866 61.300 -0.326 0.000 1.059 419 I CB 1.667 39.297 38.000 -0.617 0.000 1.229 419 I HN 0.751 nan 8.210 nan 0.000 0.442 420 A N 5.759 128.488 122.820 -0.152 0.000 2.350 420 A HA 1.000 5.320 4.320 0.001 0.000 0.324 420 A C -0.867 176.677 177.584 -0.067 0.000 1.118 420 A CA -0.074 51.913 52.037 -0.083 0.000 0.783 420 A CB 1.601 20.564 19.000 -0.063 0.000 1.236 420 A HN 0.968 nan 8.150 nan 0.000 0.457 421 A N 0.637 123.448 122.820 -0.015 0.000 2.532 421 A HA 0.881 5.201 4.320 0.001 0.000 0.290 421 A C -1.550 176.106 177.584 0.119 0.000 1.143 421 A CA -0.498 51.553 52.037 0.023 0.000 0.728 421 A CB 1.348 20.343 19.000 -0.008 0.000 1.317 421 A HN 1.927 nan 8.150 nan 0.000 0.414 422 Y N -0.491 119.794 120.300 -0.024 0.000 2.482 422 Y HA 0.552 5.103 4.550 0.001 0.000 0.334 422 Y C 0.155 176.050 175.900 -0.009 0.000 1.091 422 Y CA 0.452 58.544 58.100 -0.014 0.000 1.027 422 Y CB 1.224 39.678 38.460 -0.009 0.000 1.306 422 Y HN 2.373 nan 8.280 nan 0.000 0.446 423 G N 4.314 112.625 108.800 -0.816 0.000 2.428 423 G HA2 -0.110 3.851 3.960 0.001 0.000 0.202 423 G HA3 -0.110 3.851 3.960 0.001 0.000 0.202 423 G C -3.085 171.627 174.900 -0.313 0.000 1.247 423 G CA -0.846 43.850 45.100 -0.673 0.000 1.020 423 G HN 0.567 nan 8.290 nan 0.000 0.529 424 P HA 0.395 nan 4.420 nan 0.000 0.264 424 P C 0.051 177.297 177.300 -0.091 0.000 1.193 424 P CA 1.091 64.074 63.100 -0.194 0.000 0.763 424 P CB -0.182 31.498 31.700 -0.034 0.000 0.810 425 H N 1.092 120.120 119.070 -0.070 0.000 2.921 425 H HA -0.235 4.322 4.556 0.001 0.000 0.281 425 H C 1.237 176.538 175.328 -0.044 0.000 1.165 425 H CA 0.771 56.792 56.048 -0.045 0.000 1.151 425 H CB -2.109 27.633 29.762 -0.035 0.000 1.311 425 H HN 0.508 nan 8.280 nan 0.000 0.361 426 A N 0.409 123.218 122.820 -0.019 0.000 2.119 426 A HA 0.255 4.575 4.320 0.001 0.000 0.217 426 A C 2.486 180.069 177.584 -0.001 0.000 1.153 426 A CA 1.201 53.230 52.037 -0.014 0.000 0.692 426 A CB -0.558 18.411 19.000 -0.052 0.000 0.799 426 A HN 0.664 nan 8.150 nan 0.000 0.458 427 A N 1.059 123.875 122.820 -0.007 0.000 1.940 427 A HA -0.198 4.122 4.320 0.001 0.000 0.219 427 A C 1.623 179.221 177.584 0.023 0.000 1.176 427 A CA 1.540 53.579 52.037 0.003 0.000 0.631 427 A CB -0.602 18.393 19.000 -0.008 0.000 0.814 427 A HN 0.565 nan 8.150 nan 0.000 0.446 428 N N 0.298 119.023 118.700 0.043 0.000 2.635 428 N HA -0.086 4.655 4.740 0.001 0.000 0.191 428 N C 1.339 176.875 175.510 0.045 0.000 1.155 428 N CA 1.425 54.508 53.050 0.055 0.000 0.927 428 N CB -0.006 38.530 38.487 0.080 0.000 0.976 428 N HN 0.626 nan 8.380 nan 0.000 0.448 429 V N -3.516 116.410 119.914 0.020 0.000 3.621 429 V HA 0.204 4.325 4.120 0.001 0.000 0.263 429 V C 1.012 177.107 176.094 0.002 0.000 1.272 429 V CA -0.113 62.183 62.300 -0.007 0.000 1.080 429 V CB -0.162 31.626 31.823 -0.058 0.000 0.816 429 V HN -0.212 nan 8.190 nan 0.000 0.451 430 V N 2.472 122.394 119.914 0.015 0.000 2.963 430 V HA 0.619 4.739 4.120 0.001 0.000 0.306 430 V C 1.378 177.492 176.094 0.033 0.000 1.077 430 V CA 1.210 63.522 62.300 0.020 0.000 1.124 430 V CB -0.105 31.730 31.823 0.020 0.000 0.987 430 V HN 1.096 nan 8.190 nan 0.000 0.487 431 G N 2.808 111.630 108.800 0.036 0.000 2.542 431 G HA2 -0.139 3.822 3.960 0.001 0.000 0.235 431 G HA3 -0.139 3.822 3.960 0.001 0.000 0.235 431 G C -0.880 174.057 174.900 0.061 0.000 1.286 431 G CA 0.083 45.210 45.100 0.045 0.000 0.904 431 G HN 1.334 nan 8.290 nan 0.000 0.577 432 L N 1.571 122.837 121.223 0.071 0.000 2.280 432 L HA 0.765 5.106 4.340 0.001 0.000 0.287 432 L C 0.912 177.850 176.870 0.112 0.000 1.023 432 L CA 0.845 55.742 54.840 0.096 0.000 0.819 432 L CB 1.410 43.519 42.059 0.083 0.000 1.212 432 L HN 1.455 nan 8.230 nan 0.000 0.420 433 T N 0.202 114.853 114.554 0.161 0.000 2.807 433 T HA 0.623 4.974 4.350 0.001 0.000 0.277 433 T C -0.762 174.072 174.700 0.223 0.000 1.006 433 T CA -0.737 61.471 62.100 0.180 0.000 1.006 433 T CB 1.533 70.511 68.868 0.184 0.000 1.274 433 T HN 0.565 nan 8.240 nan 0.000 0.569 434 D N -1.234 119.284 120.400 0.195 0.000 2.340 434 D HA 0.292 4.932 4.640 0.001 0.000 0.240 434 D C 1.073 177.476 176.300 0.172 0.000 1.001 434 D CA -0.635 53.427 54.000 0.104 0.000 0.888 434 D CB 2.106 42.928 40.800 0.036 0.000 1.310 434 D HN 0.667 nan 8.370 nan 0.000 0.474 435 Q N 0.403 120.144 119.800 -0.099 0.000 2.248 435 Q HA -0.184 4.156 4.340 0.001 0.000 0.208 435 Q C 1.466 177.615 176.000 0.248 0.000 0.984 435 Q CA 2.065 57.868 55.803 -0.000 0.000 0.875 435 Q CB 0.069 28.689 28.738 -0.197 0.000 0.910 435 Q HN 0.725 nan 8.270 nan 0.000 0.433 436 T N -2.706 111.943 114.554 0.158 0.000 2.896 436 T HA -0.093 4.257 4.350 0.001 0.000 0.263 436 T C 1.367 176.341 174.700 0.458 0.000 1.050 436 T CA 0.988 63.240 62.100 0.253 0.000 1.140 436 T CB -0.221 68.731 68.868 0.141 0.000 0.877 436 T HN 0.191 nan 8.240 nan 0.000 0.457 437 D N 1.243 121.843 120.400 0.334 0.000 2.158 437 D HA -0.096 4.545 4.640 0.001 0.000 0.197 437 D C 2.020 178.547 176.300 0.379 0.000 0.995 437 D CA 1.010 55.208 54.000 0.331 0.000 0.846 437 D CB -0.267 40.660 40.800 0.212 0.000 0.941 437 D HN 0.261 nan 8.370 nan 0.000 0.456 438 L N 0.501 121.946 121.223 0.369 0.000 2.043 438 L HA -0.196 4.145 4.340 0.001 0.000 0.212 438 L C 2.117 179.155 176.870 0.281 0.000 1.075 438 L CA 1.468 56.486 54.840 0.296 0.000 0.752 438 L CB -0.890 41.374 42.059 0.342 0.000 0.891 438 L HN -0.006 nan 8.230 nan 0.000 0.432 439 F N -0.972 119.105 119.950 0.211 0.000 2.075 439 F HA -0.271 4.256 4.527 0.001 0.000 0.297 439 F C 2.138 177.894 175.800 -0.072 0.000 1.113 439 F CA 1.679 59.714 58.000 0.058 0.000 1.218 439 F CB -0.676 38.311 39.000 -0.022 0.000 0.984 439 F HN 0.131 nan 8.300 nan 0.000 0.472 440 Y N 0.626 121.050 120.300 0.207 0.000 2.274 440 Y HA -0.197 4.353 4.550 0.001 0.000 0.290 440 Y C 2.686 178.543 175.900 -0.072 0.000 1.145 440 Y CA 1.792 59.918 58.100 0.044 0.000 1.203 440 Y CB -1.400 37.155 38.460 0.158 0.000 0.984 440 Y HN 0.079 nan 8.280 nan 0.000 0.533 441 T N -0.074 114.540 114.554 0.099 0.000 2.668 441 T HA -0.206 4.144 4.350 0.001 0.000 0.262 441 T C 1.979 176.623 174.700 -0.094 0.000 1.045 441 T CA 1.642 63.756 62.100 0.023 0.000 1.152 441 T CB -0.387 68.521 68.868 0.068 0.000 0.864 441 T HN 0.267 nan 8.240 nan 0.000 0.419 442 M N 0.704 120.239 119.600 -0.108 0.000 2.195 442 M HA -0.152 4.329 4.480 0.001 0.000 0.260 442 M C 2.338 178.487 176.300 -0.250 0.000 1.066 442 M CA 1.551 56.763 55.300 -0.146 0.000 1.089 442 M CB -0.294 32.236 32.600 -0.116 0.000 1.377 442 M HN 0.129 nan 8.290 nan 0.000 0.411 443 K N 0.389 120.570 120.400 -0.365 0.000 1.967 443 K HA -0.113 4.208 4.320 0.001 0.000 0.212 443 K C 2.083 178.535 176.600 -0.246 0.000 1.044 443 K CA 1.536 57.603 56.287 -0.365 0.000 0.942 443 K CB -0.242 31.979 32.500 -0.465 0.000 0.726 443 K HN 0.278 nan 8.250 nan 0.000 0.440 444 A N 1.228 123.921 122.820 -0.211 0.000 1.917 444 A HA -0.201 4.119 4.320 0.001 0.000 0.219 444 A C 2.298 179.621 177.584 -0.436 0.000 1.182 444 A CA 2.257 54.160 52.037 -0.223 0.000 0.633 444 A CB -0.818 18.095 19.000 -0.144 0.000 0.819 444 A HN 0.517 nan 8.150 nan 0.000 0.448 445 A N -0.472 121.991 122.820 -0.595 0.000 1.883 445 A HA -0.078 4.242 4.320 0.001 0.000 0.217 445 A C 2.071 179.450 177.584 -0.342 0.000 1.186 445 A CA 1.601 53.131 52.037 -0.845 0.000 0.624 445 A CB -0.581 18.202 19.000 -0.362 0.000 0.822 445 A HN 0.486 nan 8.150 nan 0.000 0.444 446 L N -0.802 120.290 121.223 -0.218 0.000 2.552 446 L HA 0.121 4.461 4.340 0.001 0.000 0.227 446 L C 1.476 178.280 176.870 -0.110 0.000 1.146 446 L CA 0.391 55.155 54.840 -0.127 0.000 0.858 446 L CB -0.465 41.529 42.059 -0.108 0.000 0.969 446 L HN 0.615 nan 8.230 nan 0.000 0.451 447 G N 1.237 109.954 108.800 -0.138 0.000 2.350 447 G HA2 -0.276 3.684 3.960 0.001 0.000 0.298 447 G HA3 -0.276 3.684 3.960 0.001 0.000 0.298 447 G C -0.103 174.750 174.900 -0.078 0.000 1.037 447 G CA 0.162 45.208 45.100 -0.090 0.000 1.074 447 G HN 0.244 nan 8.290 nan 0.000 0.511 448 L N -1.076 120.084 121.223 -0.106 0.000 2.347 448 L HA 0.913 5.254 4.340 0.001 0.000 0.268 448 L C 0.611 177.431 176.870 -0.082 0.000 1.019 448 L CA -0.801 53.980 54.840 -0.098 0.000 0.806 448 L CB 1.866 43.837 42.059 -0.146 0.000 1.339 448 L HN 0.616 nan 8.230 nan 0.000 0.463 449 K N 0.000 120.362 120.400 -0.064 0.000 2.780 449 K HA 0.000 4.321 4.320 0.001 0.000 0.191 449 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 449 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543